1,2,4-Triazole-3-carboxylic acid
Properties
- Molecular formula
- C3H3N3O2
- Molar mass
- 113.08 g/mol
- Exact mass
- 113.0225 Da
- Melting point
- 135–137 °C
- logP
- -0.50Crippen estimate
- Polar surface area
- 78.9 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation98% of notifiers
- H319 Causes serious eye irritation98% of notifiers
- H335 May cause respiratory irritation95.9% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4928-87-4SMILES
O=C(O)c1nc[nH]n1InChIKey
LJVQHXICFCZRJN-UHFFFAOYSA-NInChI
InChI=1S/C3H3N3O2/c7-3(8)2-4-1-5-6-2/h1H,(H,7,8)(H,4,5,6)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-1,2,4-Triazole-5-carboxylic acid
- s-Triazole-3-carboxylic acid
- 1H-1,2,4-Triazole-3-carboxylic acid
- NSC 165527
- NSC 202574
- 4H-1,2,4-Triazole-3-carboxylic acid
Work with 1,2,4-Triazole-3-carboxylic acid
Similar compounds
1,2,4-Triazole-3-carboxylic acid hydrazide21732-98-948 % similar
Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-548 % similar
Pyrimidine-2-carboxylic acid31519-62-748 % similar
1H-Imidazole-5-carboxylic acid1072-84-044 % similar
5-Bromopyrimidine-2-carboxylic acid37131-87-644 % similar
5-Methylpyrimidine-2-carboxylic acid99420-75-444 % similar
Imidazole-4,5-dicarboxylic acid570-22-942 % similar
2,5-Pyrazinedicarboxylic acid122-05-441 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.