chempirical

Ibc 293

C10H11N3O2CAS 306935-41-1205.22 g/mol

Open in Covalent MOL file
NOOHNN
Carboxylic acid

Properties

Molecular formula
C10H11N3O2
Molar mass
205.22 g/mol
Exact mass
205.0851 Da
logP
1.71Crippen estimate
Polar surface area
68.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
306935-41-1
SMILES
CC(C)N1C2=C(C=C(C=C2)C(=O)O)N=N1
InChIKey
RUTVRAJKELSHCC-UHFFFAOYSA-N
InChI
InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)

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Names and synonyms

1 names
  • 1-Isopropyl-1H-1,2,3-benzotriazole-5-carboxylic acid

Work with Ibc 293

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

2,3-Dimethylquinoxaline-6-carboxylic acid17635-26-648 % similar 1-Methyl-1H-indole-5-carboxylic acid186129-25-946 % similar 2,1,3-Benzothiadiazole-5-carboxylic acid16405-98-443 % similar 2,1,3-Benzoxadiazole-5-carboxylic acid19155-88-543 % similar Benzotriazole-5-carboxylic acid23814-12-243 % similar 2,6-Naphthalenedicarboxylic acid1141-38-440 % similar 4-Isopropylbenzoic acid536-66-340 % similar 3,4-Dimethylbenzoic acid619-04-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6,7-Dimethoxyquinazolin-4-amine21575-13-3 α-Amino-1H-pyrrolo[2,3-b]pyridine-3-propanoic acid7303-50-6

Elsewhere

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