8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one

C15H20N6O — CID 135702819

IUPAC8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one
SMILESCCCn1c(=O)n2c(C)nnc2c2[nH]c(C3CCCC3)nc21
InChIInChI=1S/C15H20N6O/c1-3-8-20-13-11(14-19-18-9(2)21(14)15(20)22)16-12(17-13)10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,16,17)
InChIKeyXLZCCEONHHHKNP-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.14
Rot. Bonds3

About 8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one

8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one (PubChem CID 135702819) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one.

Molecular Properties

Compound Name8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one
PubChem CID135702819
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one
SMILESCCCn1c(=O)n2c(C)nnc2c2[nH]c(C3CCCC3)nc21
InChIInChI=1S/C15H20N6O/c1-3-8-20-13-11(14-19-18-9(2)21(14)15(20)22)16-12(17-13)10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,16,17)
InChIKeyXLZCCEONHHHKNP-UHFFFAOYSA-N
XLogP2.14
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,7-dihydro-8-cyclopentyl-6-propyl-
CID 135702817
5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,7-dihydro-3-methyl-6-propyl-
CID 135702818
2-cyclopentyl-4,6-dipropyl-1H-[1,2,4]triazolo[1,5-a]purin-9-one
CID 44214384
6-Pentyl-8-(trifluoromethyl)-6,9-dihydro-5H-[1,2,4]triazolo[3,4-i]purin-5-one
CID 135846125
6-butyl-3-methyl-8-(trifluoromethyl)-9H-[1,2,4]triazolo[3,4-f]purin-5-one
CID 135955133
2-bromo-4-pentyl-8-(trifluoromethyl)-1H-[1,2,4]triazolo[5,1-f]purin-5-one
CID 135955146
8-bromo-6-pentyl-3-(trifluoromethyl)-9H-[1,2,4]triazolo[3,4-f]purin-5-one
CID 135955147
2-bromo-4-(5-fluoropentyl)-8-methyl-1H-[1,2,4]triazolo[5,1-f]purin-5-one
CID 135955170
2-bromo-4-(4-fluorobutyl)-8-methyl-1H-[1,2,4]triazolo[5,1-f]purin-5-one
CID 135955171
2-bromo-8-methyl-4-(5,5,5-trifluoropentyl)-1H-[1,2,4]triazolo[5,1-f]purin-5-one
CID 135955173
6-pentyl-3-(trifluoromethyl)-9H-[1,2,4]triazolo[3,4-f]purin-5-one
CID 135984711
2-bromo-8-methyl-4-(5,5,5-trifluoropentyl)-1H-[1,2,4]triazolo[5,1-f]purin-3-ium-5-one
CID 136592722

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one?
The IUPAC name of 8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one (CID 135702819) is 8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one.
What is the SMILES notation for 8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one?
The canonical SMILES for 8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one is CCCn1c(=O)n2c(C)nnc2c2[nH]c(C3CCCC3)nc21.
What is the InChIKey of 8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one?
The InChIKey is XLZCCEONHHHKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-8-20-13-11(14-19-18-9(2)21(14)15(20)22)16-12(17-13)10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one?
8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one has a molecular weight of 300.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one is sourced from PubChem (CID 135702819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).