Isoniazid (C6H7N3O)

isoniazid (C6H7N3O; CAS 54-85-3) is a practical retrosynthesis target. isoniazid presents a C6 framework, aromatic rings, basic nitrogen. Open AI route search in one click below.

Target: Isoniazid
CAS: 54-85-3
Formula: C6H7N3O
Approx. MW: 137.14
SMILES: NNC(=O)c1ccncc1
PubChem CID: 3767
Approx. carbons: C6

Isoniazid structure

Properties

IUPAC name: pyridine-4-carbohydrazide
Common names: isoniazid; 54-85-3; Isonicotinic acid hydrazide; Isonicotinohydrazide; pyridine-4-carbohydrazide; Isoniazide; Rimifon; Nydrazid; Cotinazin; Dinacrin
Molecular weight: 137.14
Exact mass: 137.06
InChIKey: QRXWMOHMRWLFEY-UHFFFAOYSA-N
Melting point: 340.5 °F (NTP, 1992)

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Isoniazid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isoniazid?

Isoniazid has molecular formula C6H7N3O. Molecular weight about 137.14 g·mol⁻¹.

What is the CAS number of Isoniazid?

The CAS Registry Number for Isoniazid is 54-85-3.

Run AI retrosynthesis for Isoniazid Target catalog AI tools overview

Open the planner with Isoniazid preloaded, then keep routes that match CAS 54-85-3.

Related targets

Similar compounds

Nicotinic acid hydrazide 1-(3-Aminopropyl)imidazole 1-(Dimethylamino)pyrrole 2-Amino-3-methylpyridine 2-amino-4-methylpyridine 2-Amino-5-bromo-4-methylpyridine

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.