7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C16H12N4O — CID 155814381

IUPAC7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccc2c(c1)c(=O)n(-c1ccccc1)c1nncn21
InChIInChI=1S/C16H12N4O/c1-11-7-8-14-13(9-11)15(21)20(12-5-3-2-4-6-12)16-18-17-10-19(14)16/h2-10H,1H3
InChIKeyRWXSGBASSHVZEA-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.34
Rot. Bonds1

About 7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 155814381) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID155814381
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccc2c(c1)c(=O)n(-c1ccccc1)c1nncn21
InChIInChI=1S/C16H12N4O/c1-11-7-8-14-13(9-11)15(21)20(12-5-3-2-4-6-12)16-18-17-10-19(14)16/h2-10H,1H3
InChIKeyRWXSGBASSHVZEA-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 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

4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091297
4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2354700
4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2773117
7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
CID 25186493
6-methyl-1-phenyl-3-(2-phenylpropan-2-yl)quinazoline-2,4-dione
CID 123695795
2-[4-[(7-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)-pyrrolidin-1-ylmethyl]phenyl]acetic acid
CID 57280605
6-methyl-9-phenylcarbazole-3-thiol
CID 143213291
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
3-iodo-6-methyl-9-phenylcarbazole
CID 121336182
5,18-dimethyl-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 146214385
4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42600700
2,6-dimethyl-4-oxo-1-phenylquinoline-3-carboxylic acid
CID 126617950

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 155814381) is 7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cc1ccc2c(c1)c(=O)n(-c1ccccc1)c1nncn21.
What is the InChIKey of 7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is RWXSGBASSHVZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-11-7-8-14-13(9-11)15(21)20(12-5-3-2-4-6-12)16-18-17-10-19(14)16/h2-10H,1H3.
What are the key properties of 7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 276.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 155814381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).