5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one

C19H22N8O2 — CID 163409152

IUPAC5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C
InChIInChI=1S/C19H22N8O2/c1-12-7-16-21-11-22-27(16)9-14(12)23-19-20-8-15-18(24-19)26(10-17(28)25(15)2)13-3-5-29-6-4-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,20,23,24)
InChIKeyMZQKKBHRPQCGSA-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.53
Rot. Bonds3

About 5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one

5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one (PubChem CID 163409152) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one.

Molecular Properties

Compound Name5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one
PubChem CID163409152
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C
InChIInChI=1S/C19H22N8O2/c1-12-7-16-21-11-22-27(16)9-14(12)23-19-20-8-15-18(24-19)26(10-17(28)25(15)2)13-3-5-29-6-4-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,20,23,24)
InChIKeyMZQKKBHRPQCGSA-UHFFFAOYSA-N
XLogP1.53
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-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 5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one?
The IUPAC name of 5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one (CID 163409152) is 5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one.
What is the SMILES notation for 5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one?
The canonical SMILES for 5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one is Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C.
What is the InChIKey of 5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one?
The InChIKey is MZQKKBHRPQCGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-12-7-16-21-11-22-27(16)9-14(12)23-19-20-8-15-18(24-19)26(10-17(28)25(15)2)13-3-5-29-6-4-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,20,23,24).
What are the key properties of 5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one?
5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one has a molecular weight of 394.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one is sourced from PubChem (CID 163409152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).