6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C16H12N4O — CID 14031879

IUPAC6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCn1c(=O)n2nc(-c3ccccc3)nc2c2ccccc21
InChIInChI=1S/C16H12N4O/c1-19-13-10-6-5-9-12(13)15-17-14(18-20(15)16(19)21)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyIIPCKFGGOXZLKU-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.25
Rot. Bonds1

About 6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one

6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 14031879) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID14031879
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCn1c(=O)n2nc(-c3ccccc3)nc2c2ccccc21
InChIInChI=1S/C16H12N4O/c1-19-13-10-6-5-9-12(13)15-17-14(18-20(15)16(19)21)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyIIPCKFGGOXZLKU-UHFFFAOYSA-N
XLogP2.25
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135465884
2-methyl-5H,6H-(1,2,4)triazolo(1,5-c)quinazolin-5-one
CID 135463200
2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736247
2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135416471
9-Chloro-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(3H)-one
CID 135778278
2-Benzyl-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
CID 135976288
2-[2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl]acetonitrile
CID 6619941
N-methyl-5-(methylthio)-N-phenyl-3-p-tolyl-1H-1,2,4-triazole-1-carboxamide
CID 11221441
4,5-Dihydro-5,8-dimethyl-2-phenyl-1,2,4-triazolo[1,5-a]quinoxalin-4-one
CID 11543839
N-(3-Fluorophenyl)-2-[2-(3-methylphenyl)-5-oxo-5H,6H-[1,2,4]triazolo[1,5-C]quinazolin-6-YL]acetamide
CID 16032967
6-(4-nitrobenzyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
CID 16033023
1-(8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one
CID 101886899

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 14031879) is 6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one is Cn1c(=O)n2nc(-c3ccccc3)nc2c2ccccc21.
What is the InChIKey of 6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is IIPCKFGGOXZLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-19-13-10-6-5-9-12(13)15-17-14(18-20(15)16(19)21)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 276.30 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 14031879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).