3-(1H-1,2,4-Triazol-1-yl)propanoic acid

C₅H₇N₃O₂CAS 76686-84-5141.13 g/mol

Open in Covalent MOL file

Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

76686-84-5

SMILES

C1=NN(C=N1)CCC(=O)O

InChIKey

KIJGYTNIFKJHJQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H7N3O2/c9-5(10)1-2-8-4-6-3-7-8/h3-4H,1-2H2,(H,9,10)

Weigh it out

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Work with 3-(1H-1,2,4-Triazol-1-yl)propanoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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. All similar compounds

Same formula

3,5-Dimethyl-4-nitropyrazole14531-55-6 6-Amino-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione21236-97-5 6-Amino-1-methyluracil2434-53-9 1H-Pyrazole-3-carboxylicacid,4-amino-,methylester(9ci)360056-45-7 Dimetridazole551-92-8 2-Amino-5-methyl-4,6(1H,5H)-pyrimidinedione55477-35-5

Elsewhere

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