2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one

C19H26N6O — CID 18382489

IUPAC2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one
SMILESCCCn1c(=O)c2[nH]c(C3CCCC3)nc2n2nc(C3CCCC3)nc12
InChIInChI=1S/C19H26N6O/c1-2-11-24-18(26)14-17(21-15(20-14)12-7-3-4-8-12)25-19(24)22-16(23-25)13-9-5-6-10-13/h12-13H,2-11H2,1H3,(H,20,21)
InChIKeySAIZMOKFZKRMNU-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.49
Rot. Bonds4

About 2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one

2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one (PubChem CID 18382489) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one.

Molecular Properties

Compound Name2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one
PubChem CID18382489
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one
SMILESCCCn1c(=O)c2[nH]c(C3CCCC3)nc2n2nc(C3CCCC3)nc12
InChIInChI=1S/C19H26N6O/c1-2-11-24-18(26)14-17(21-15(20-14)12-7-3-4-8-12)25-19(24)22-16(23-25)13-9-5-6-10-13/h12-13H,2-11H2,1H3,(H,20,21)
InChIKeySAIZMOKFZKRMNU-UHFFFAOYSA-N
XLogP3.49
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one with MolForge

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Related Compounds

3-(4-aminobutyl)-8-cyclopentyl-1-propyl-7H-purine-2,6-dione
CID 19699230
8-cyclopentyl-1,3-dipropyl-6-sulfanylidene-7H-purin-2-one
CID 19382381
8-cyclopentyl-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1-propyl-7H-purine-2,6-dione
CID 19699231
8-cyclopentyl-6-methylsulfanyl-3-propyl-7H-purin-2-one
CID 10469601
8-(8,8-dimethyl-6,10-dioxospiro[4.5]decan-3-yl)-1,3-dipropyl-7H-purine-2,6-dione
CID 67813083
1-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)-4-hydroxybutane-2-sulfinic acid
CID 57088174
8-cyclopentyl-3-methyl-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one
CID 135702819
8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one
CID 10447826
8-[(1S,2S)-2-phenylcyclopentyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 10022684
8-(2-bicyclo[2.2.1]heptanyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 10359295
8-cyclopentyl-2-(1-methylpyrrolidin-3-yl)oxy-1-propyl-7H-purin-6-one
CID 70660748
ethyl 3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)bicyclo[3.2.1]octane-8-carboxylate
CID 69266175

Frequently Asked Questions

What is the IUPAC name of 2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one?
The IUPAC name of 2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one (CID 18382489) is 2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one.
What is the SMILES notation for 2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one?
The canonical SMILES for 2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one is CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n2nc(C3CCCC3)nc12.
What is the InChIKey of 2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one?
The InChIKey is SAIZMOKFZKRMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-2-11-24-18(26)14-17(21-15(20-14)12-7-3-4-8-12)25-19(24)22-16(23-25)13-9-5-6-10-13/h12-13H,2-11H2,1H3,(H,20,21).
What are the key properties of 2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one?
2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one has a molecular weight of 354.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dicyclopentyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one is sourced from PubChem (CID 18382489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).