2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C16H12N4O — CID 135416471

IUPAC2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCc1ccc(-c2nc3c4ccccc4[nH]c(=O)n3n2)cc1
InChIInChI=1S/C16H12N4O/c1-10-6-8-11(9-7-10)14-18-15-12-4-2-3-5-13(12)17-16(21)20(15)19-14/h2-9H,1H3,(H,17,21)
InChIKeyYKIDJWHFUHPOAI-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.55
Rot. Bonds1

About 2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135416471) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135416471
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCc1ccc(-c2nc3c4ccccc4[nH]c(=O)n3n2)cc1
InChIInChI=1S/C16H12N4O/c1-10-6-8-11(9-7-10)14-18-15-12-4-2-3-5-13(12)17-16(21)20(15)19-14/h2-9H,1H3,(H,17,21)
InChIKeyYKIDJWHFUHPOAI-UHFFFAOYSA-N
XLogP2.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
9-Chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-ol
CID 135736240
2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736247
6-Methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 14031879
2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736242
9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736249
9-Chloro-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(3H)-one
CID 135778278
2-(Pyridin-4-yl)1,2,4-triazolo[1,5-c]quinazolin-5(6H)-one
CID 135799513
2-Benzyl-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
CID 135976288
9-chloro-2-(4-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035280
N-(3-Fluorophenyl)-2-[2-(3-methylphenyl)-5-oxo-5H,6H-[1,2,4]triazolo[1,5-C]quinazolin-6-YL]acetamide
CID 16032967

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135416471) is 2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is Cc1ccc(-c2nc3c4ccccc4[nH]c(=O)n3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is YKIDJWHFUHPOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-6-8-11(9-7-10)14-18-15-12-4-2-3-5-13(12)17-16(21)20(15)19-14/h2-9H,1H3,(H,17,21).
What are the key properties of 2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 276.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135416471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).