(5-amino-2-phenyltriazol-4-yl)-phenylmethanone

C15H12N4O — CID 174808968

IUPAC(5-amino-2-phenyltriazol-4-yl)-phenylmethanone
SMILESNc1nn(-c2ccccc2)nc1C(=O)c1ccccc1
InChIInChI=1S/C15H12N4O/c16-15-13(14(20)11-7-3-1-4-8-11)17-19(18-15)12-9-5-2-6-10-12/h1-10H,(H2,16,18)
InChIKeyQVAHAVWMHNFJLE-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.08
Rot. Bonds3

About (5-amino-2-phenyltriazol-4-yl)-phenylmethanone

(5-amino-2-phenyltriazol-4-yl)-phenylmethanone (PubChem CID 174808968) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (5-amino-2-phenyltriazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-amino-2-phenyltriazol-4-yl)-phenylmethanone
PubChem CID174808968
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(5-amino-2-phenyltriazol-4-yl)-phenylmethanone
SMILESNc1nn(-c2ccccc2)nc1C(=O)c1ccccc1
InChIInChI=1S/C15H12N4O/c16-15-13(14(20)11-7-3-1-4-8-11)17-19(18-15)12-9-5-2-6-10-12/h1-10H,(H2,16,18)
InChIKeyQVAHAVWMHNFJLE-UHFFFAOYSA-N
XLogP2.08
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-amino-2-phenyltriazol-4-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-diphenyltriazol-4-yl)-phenylmethanone
CID 13297593
phenyl-(2-phenylbenzotriazol-4-yl)methanone
CID 122215925
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
(3,5-diamino-2-phenyl-[1,2,4]triazolo[3,4-c][1,2,4]triazin-4-ium-6-yl)-phenylmethanone
CID 13116213
phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone
CID 59163086
(4-amino-1,5-dimethylpyrazol-3-yl)-phenylmethanone;hydrochloride
CID 117069035
5-methyl-2-phenyltriazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174597828
diphenylmethanone
CID 3102
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
(4-benzoylphthalazin-1-yl)-phenylmethanone
CID 21134746
5-amino-2-[2-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
CID 97058265
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-phenyltriazol-4-yl)-phenylmethanone?
The IUPAC name of (5-amino-2-phenyltriazol-4-yl)-phenylmethanone (CID 174808968) is (5-amino-2-phenyltriazol-4-yl)-phenylmethanone.
What is the SMILES notation for (5-amino-2-phenyltriazol-4-yl)-phenylmethanone?
The canonical SMILES for (5-amino-2-phenyltriazol-4-yl)-phenylmethanone is Nc1nn(-c2ccccc2)nc1C(=O)c1ccccc1.
What is the InChIKey of (5-amino-2-phenyltriazol-4-yl)-phenylmethanone?
The InChIKey is QVAHAVWMHNFJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-15-13(14(20)11-7-3-1-4-8-11)17-19(18-15)12-9-5-2-6-10-12/h1-10H,(H2,16,18).
What are the key properties of (5-amino-2-phenyltriazol-4-yl)-phenylmethanone?
(5-amino-2-phenyltriazol-4-yl)-phenylmethanone has a molecular weight of 264.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-phenyltriazol-4-yl)-phenylmethanone is sourced from PubChem (CID 174808968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).