3-(1H-1,2,4-Triazol-1-yl)propanoic acid
Properties
- Molecular formula
- C5H7N3O2
- Molar mass
- 141.13 g/mol
- Exact mass
- 141.0538 Da
- logP
- -0.25Crippen estimate
- Polar surface area
- 68.0 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H228 Flammable solid100% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501
Identifiers
CAS number
76686-84-5SMILES
C1=NN(C=N1)CCC(=O)OInChIKey
KIJGYTNIFKJHJQ-UHFFFAOYSA-NInChI
InChI=1S/C5H7N3O2/c9-5(10)1-2-8-4-6-3-7-8/h3-4H,1-2H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-(1H-1,2,4-Triazol-1-yl)propanoic acid
Similar compounds
1,2,4-Triazole-1-acetic acid28711-29-768 % similar
3-Imidazol-1-yl-propionic acid18999-45-650 % similar
3-Benzoimidazol-1-yl-propionic acid14840-18-740 % similar
Succinic acid110-15-639 % similar
3-(2-Methyl-1H-imidazol-1-yl)propanoic acid24647-62-938 % similar
1H-Tetrazole-1-acetic acid21732-17-237 % similar
1H-Imidazole-1-acetic acid22884-10-237 % similar
Glutaric acid110-94-137 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.