9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one

C19H22N8O — CID 135151301

IUPAC9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCCCC1)c(=O)n2C
InChIInChI=1S/C19H22N8O/c1-12-8-16-21-11-22-26(16)10-14(12)23-18-20-9-15-17(24-18)27(19(28)25(15)2)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,20,23,24)
InChIKeyPCTWMWBDQSWVBE-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.73
Rot. Bonds3

About 9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one

9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one (PubChem CID 135151301) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one.

Molecular Properties

Compound Name9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
PubChem CID135151301
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCCCC1)c(=O)n2C
InChIInChI=1S/C19H22N8O/c1-12-8-16-21-11-22-26(16)10-14(12)23-18-20-9-15-17(24-18)27(19(28)25(15)2)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,20,23,24)
InChIKeyPCTWMWBDQSWVBE-UHFFFAOYSA-N
XLogP2.73
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-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 9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The IUPAC name of 9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one (CID 135151301) is 9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one.
What is the SMILES notation for 9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The canonical SMILES for 9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one is Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCCCC1)c(=O)n2C.
What is the InChIKey of 9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The InChIKey is PCTWMWBDQSWVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-12-8-16-21-11-22-26(16)10-14(12)23-18-20-9-15-17(24-18)27(19(28)25(15)2)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,20,23,24).
What are the key properties of 9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one has a molecular weight of 378.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one is sourced from PubChem (CID 135151301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).