2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C16H14N4O — CID 666897

IUPAC2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCc1nc2nc3c(cn2n1)C(=O)CC(c1ccccc1)C3
InChIInChI=1S/C16H14N4O/c1-10-17-16-18-14-7-12(11-5-3-2-4-6-11)8-15(21)13(14)9-20(16)19-10/h2-6,9,12H,7-8H2,1H3
InChIKeyCEYKPIBPSJPFAC-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.35
Rot. Bonds1

About 2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 666897) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID666897
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCc1nc2nc3c(cn2n1)C(=O)CC(c1ccccc1)C3
InChIInChI=1S/C16H14N4O/c1-10-17-16-18-14-7-12(11-5-3-2-4-6-11)8-15(21)13(14)9-20(16)19-10/h2-6,9,12H,7-8H2,1H3
InChIKeyCEYKPIBPSJPFAC-UHFFFAOYSA-N
XLogP2.35
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 666897) is 2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is Cc1nc2nc3c(cn2n1)C(=O)CC(c1ccccc1)C3.
What is the InChIKey of 2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is CEYKPIBPSJPFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-17-16-18-14-7-12(11-5-3-2-4-6-11)8-15(21)13(14)9-20(16)19-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of 2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 278.31 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 666897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).