2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one

C18H14N4O — CID 135426534

IUPAC2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one
SMILESCc1nn2c(-c3ccccc3)c(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C18H14N4O/c1-12-17(23)20-18-19-15(13-8-4-2-5-9-13)16(22(18)21-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20,23)
InChIKeyQQLYLHHIGYCBCA-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.06
Rot. Bonds2

About 2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one

2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one (PubChem CID 135426534) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one.

Molecular Properties

Compound Name2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one
PubChem CID135426534
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one
SMILESCc1nn2c(-c3ccccc3)c(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C18H14N4O/c1-12-17(23)20-18-19-15(13-8-4-2-5-9-13)16(22(18)21-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20,23)
InChIKeyQQLYLHHIGYCBCA-UHFFFAOYSA-N
XLogP3.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-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-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
The IUPAC name of 2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one (CID 135426534) is 2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one.
What is the SMILES notation for 2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
The canonical SMILES for 2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one is Cc1nn2c(-c3ccccc3)c(-c3ccccc3)nc2[nH]c1=O.
What is the InChIKey of 2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
The InChIKey is QQLYLHHIGYCBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-12-17(23)20-18-19-15(13-8-4-2-5-9-13)16(22(18)21-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20,23).
What are the key properties of 2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one?
2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one has a molecular weight of 302.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one is sourced from PubChem (CID 135426534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).