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

C18H20N8O2 — CID 155566902

IUPAC9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2nc(Nc3ccc4ncnn4c3)ncc21
InChIInChI=1S/C18H20N8O2/c1-24-14-8-19-17(22-11-2-7-15-20-10-21-25(15)9-11)23-16(14)26(18(24)28)12-3-5-13(27)6-4-12/h2,7-10,12-13,27H,3-6H2,1H3,(H,19,22,23)
InChIKeyYSRMMKYBTZLTFQ-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.39
Rot. Bonds3

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

9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one (PubChem CID 155566902) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one
PubChem CID155566902
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2nc(Nc3ccc4ncnn4c3)ncc21
InChIInChI=1S/C18H20N8O2/c1-24-14-8-19-17(22-11-2-7-15-20-10-21-25(15)9-11)23-16(14)26(18(24)28)12-3-5-13(27)6-4-12/h2,7-10,12-13,27H,3-6H2,1H3,(H,19,22,23)
InChIKeyYSRMMKYBTZLTFQ-UHFFFAOYSA-N
XLogP1.39
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.39
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-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one?
The IUPAC name of 9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one (CID 155566902) is 9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one.
What is the SMILES notation for 9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one?
The canonical SMILES for 9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one is Cn1c(=O)n(C2CCC(O)CC2)c2nc(Nc3ccc4ncnn4c3)ncc21.
What is the InChIKey of 9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one?
The InChIKey is YSRMMKYBTZLTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-24-14-8-19-17(22-11-2-7-15-20-10-21-25(15)9-11)23-16(14)26(18(24)28)12-3-5-13(27)6-4-12/h2,7-10,12-13,27H,3-6H2,1H3,(H,19,22,23).
What are the key properties of 9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one?
9-(4-hydroxycyclohexyl)-7-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one has a molecular weight of 380.41 g/mol, XLogP of 1.39, 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-([1,2,4]triazolo[1,5-a]pyridin-6-ylamino)purin-8-one is sourced from PubChem (CID 155566902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).