Isoniazid

CAS 54-85-3  ·  C6H7N3O  ·  MW 137.14 g/mol

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3D model Isoniazid, CAS 54-85-3, molecular formula C6H7N3O, molar mass 137.14 g/mol
About Isoniazid

Isoniazid is a chemical compound registered under number CAS 54-85-3, with the molecular formula C6H7N3O, and a molar mass of 137.14 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is pyridine-4-carbohydrazide. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = -0.7 (negative value, a hydrophilic compound), polar surface area PSA = 68 Ų, 2 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC6H7N3O
Masa molowa137.14 g/mol
IUPACpyridine-4-carbohydrazide
SMILESC1=CN=CC=C1C(=O)NN
InChIKeyQRXWMOHMRWLFEY-UHFFFAOYSA-N
logP (XLogP3)-0.7
PSA68 Ų
HBD / HBA2 / 3
PubChem CIDCID 3767 ↗
GHS safety

Signal word: Danger

GHS07
GHS07
GHS08
GHS08

H302 — Działa szkodliwie po połknięciu

H315 — Działa drażniąco na skórę

H361 — Podejrzewa się, że działa szkodliwie na płodność lub na dziecko w łonie matki

H370 — Powoduje uszkodzenie narządów

H372 — Powoduje uszkodzenie narządów poprzez długotrwałe lub powtarzane narażenie

H402 — Działa szkodliwie na organizmy wodne

H412 — Działa szkodliwie na organizmy wodne, powodując długotrwałe skutki

Scientific literature

Related literature

9 articles · 7 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (9 articles)

1999: 1 articles19992002: 1 articles2024: 3 articles20242025: 3 articles2026: 1 articles2026

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
isoniazid · 54-85-3 · Isonicotinic acid hydrazide · Isonicotinohydrazide · pyridine-4-carbohydrazide · Isoniazide · Rimifon · Nydrazid · Cotinazin · Dinacrin · Hydrazid · Iscotin · Mybasan · Cedin · Hidrasonil
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Isoniazid — CAS 54-85-3

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Isoniazid (CAS 54-85-3) — License & Provenance

Source:
Isoniazid (CAS 54-85-3) — MolGod molecule record

Source data: PubChem CID 3767

STL: Download 3D model (345 KB)

SHA-256: b2a6b55922ff911efe03b559278ba3db30a083a805f2e42d0c242e9cfa66885b

Wikimedia Commons: not published yet

Source data: PubChem CID 3767

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.