2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C14H18N4O2 — CID 136531461

IUPAC2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(CCC1CCCC1)Cn1nc2cnccn2c1=O
InChIInChI=1S/C14H18N4O2/c19-12(6-5-11-3-1-2-4-11)10-18-14(20)17-8-7-15-9-13(17)16-18/h7-9,11H,1-6,10H2
InChIKeyXCKPBTRAORAWBT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.43
Rot. Bonds5

About 2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 136531461) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID136531461
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(CCC1CCCC1)Cn1nc2cnccn2c1=O
InChIInChI=1S/C14H18N4O2/c19-12(6-5-11-3-1-2-4-11)10-18-14(20)17-8-7-15-9-13(17)16-18/h7-9,11H,1-6,10H2
InChIKeyXCKPBTRAORAWBT-UHFFFAOYSA-N
XLogP1.43
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 136531461) is 2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=C(CCC1CCCC1)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is XCKPBTRAORAWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-12(6-5-11-3-1-2-4-11)10-18-14(20)17-8-7-15-9-13(17)16-18/h7-9,11H,1-6,10H2.
What are the key properties of 2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 274.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-2-oxobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 136531461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).