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

C19H22N8O2 — CID 135179714

IUPAC9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCC(O)CC1)c(=O)n2C
InChIInChI=1S/C19H22N8O2/c1-11-7-16-21-10-22-26(16)9-14(11)23-18-20-8-15-17(24-18)27(19(29)25(15)2)12-3-5-13(28)6-4-12/h7-10,12-13,28H,3-6H2,1-2H3,(H,20,23,24)
InChIKeyXGWVDWGXBYRXIX-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.70
Rot. Bonds3

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

9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one (PubChem CID 135179714) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
PubChem CID135179714
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCC(O)CC1)c(=O)n2C
InChIInChI=1S/C19H22N8O2/c1-11-7-16-21-10-22-26(16)9-14(11)23-18-20-8-15-17(24-18)27(19(29)25(15)2)12-3-5-13(28)6-4-12/h7-10,12-13,28H,3-6H2,1-2H3,(H,20,23,24)
InChIKeyXGWVDWGXBYRXIX-UHFFFAOYSA-N
XLogP1.70
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The IUPAC name of 9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one (CID 135179714) is 9-(4-hydroxycyclohexyl)-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-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The canonical SMILES for 9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one is Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCC(O)CC1)c(=O)n2C.
What is the InChIKey of 9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
The InChIKey is XGWVDWGXBYRXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-11-7-16-21-10-22-26(16)9-14(11)23-18-20-8-15-17(24-18)27(19(29)25(15)2)12-3-5-13(28)6-4-12/h7-10,12-13,28H,3-6H2,1-2H3,(H,20,23,24).
What are the key properties of 9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one?
9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one has a molecular weight of 394.44 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxycyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one is sourced from PubChem (CID 135179714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).