Fluconazole impurity C

C₁₀H₈N₆CAS 514222-44-7212.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈N₆
Molar mass: 212.22 g/mol
Exact mass: 212.0810 Da
logP: 0.85Crippen estimate
Polar surface area: 61.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

514222-44-7

SMILES

C1=CC(=CC(=C1)N2C=NC=N2)N3C=NC=N3

InChIKey

WXNXRKYXCCDJHI-UHFFFAOYSA-N

InChI

InChI=1S/C10H8N6/c1-2-9(15-7-11-5-13-15)4-10(3-1)16-8-12-6-14-16/h1-8H

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Names and synonyms

1 names

1-(3-(1H-1,2,4-Triazol-1-yl)phenyl)-1H-1,2,4-triazole

Work with Fluconazole impurity C

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-(1H-1,2,4-Triazol-1-yl)benzoic acid167626-64-460 % similar 4-(1,2,4-Triazol-1-yl)aniline6523-49-553 % similar 4-(1,2,4-Triazol-1-yl)phenol68337-15-553 % similar 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde27996-86-748 % similar Fluotrimazole31251-03-333 % similar 1-(3-Fluorophenyl)imidazole25372-42-332 % similar 1-Phenylpyrazole1126-00-731 % similar 9,9'-(1,3-Phenylene)bis-9H-carbazole550378-78-431 % similar

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

Elsewhere

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