4-Methyl-2-phenyl-1,2,3-triazole-5-carboxylic acid

C10H9N3O2CAS 22300-56-7203.20 g/mol

Open in Covalent MOL file
NNNOOH
Carboxylic acid

Properties

Molecular formula
C10H9N3O2
Molar mass
203.20 g/mol
Exact mass
203.0695 Da
logP
1.27Crippen estimate
Polar surface area
68.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
22300-56-7
SMILES
CC1=NN(N=C1C(=O)O)C2=CC=CC=C2
InChIKey
GQYQHAGPALBYDO-UHFFFAOYSA-N
InChI
InChI=1S/C10H9N3O2/c1-7-9(10(14)15)12-13(11-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)

Weigh it out

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Names and synonyms

1 names
  • 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid

Work with 4-Methyl-2-phenyl-1,2,3-triazole-5-carboxylic 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

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid61226-19-553 % similar 5-Methyl-1-phenylpyrazole-4-carboxylic acid91138-00-044 % similar 1-Methylindazole-3-carboxylic acid50890-83-044 % similar 3-Methylpyrazine-2-carboxylic acid41110-28-544 % similar 4-Methyl-2-phenyl-thiazole-5-carboxylic acid33763-20-141 % similar 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-541 % similar 2-Methylnicotinic acid3222-56-840 % similar 3-Methylpicolinic acid4021-07-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid956317-36-5

Elsewhere

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