6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one

C18H16N4O — CID 71912920

IUPAC6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCC1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21
InChIInChI=1S/C18H16N4O/c1-18(2)20-14-11-7-6-10-13(14)16-19-17(23)15(21-22(16)18)12-8-4-3-5-9-12/h3-11,20H,1-2H3
InChIKeyZLTMZOZHWGQFSO-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.09
Rot. Bonds1

About 6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one

6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one (PubChem CID 71912920) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one.

Molecular Properties

Compound Name6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
PubChem CID71912920
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one
SMILESCC1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21
InChIInChI=1S/C18H16N4O/c1-18(2)20-14-11-7-6-10-13(14)16-19-17(23)15(21-22(16)18)12-8-4-3-5-9-12/h3-11,20H,1-2H3
InChIKeyZLTMZOZHWGQFSO-UHFFFAOYSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-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 6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The IUPAC name of 6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one (CID 71912920) is 6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one.
What is the SMILES notation for 6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The canonical SMILES for 6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one is CC1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21.
What is the InChIKey of 6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
The InChIKey is ZLTMZOZHWGQFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-18(2)20-14-11-7-6-10-13(14)16-19-17(23)15(21-22(16)18)12-8-4-3-5-9-12/h3-11,20H,1-2H3.
What are the key properties of 6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one?
6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one has a molecular weight of 304.35 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one is sourced from PubChem (CID 71912920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).