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

C12H14N4O2 — CID 104626020

IUPAC2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cn1nc2cnccn2c1=O)C1CCCC1
InChIInChI=1S/C12H14N4O2/c17-10(9-3-1-2-4-9)8-16-12(18)15-6-5-13-7-11(15)14-16/h5-7,9H,1-4,8H2
InChIKeyJNHRSOHCYDSMTE-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.65
Rot. Bonds3

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

2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 104626020) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID104626020
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=C(Cn1nc2cnccn2c1=O)C1CCCC1
InChIInChI=1S/C12H14N4O2/c17-10(9-3-1-2-4-9)8-16-12(18)15-6-5-13-7-11(15)14-16/h5-7,9H,1-4,8H2
InChIKeyJNHRSOHCYDSMTE-UHFFFAOYSA-N
XLogP0.65
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 104626020) is 2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=C(Cn1nc2cnccn2c1=O)C1CCCC1.
What is the InChIKey of 2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is JNHRSOHCYDSMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-10(9-3-1-2-4-9)8-16-12(18)15-6-5-13-7-11(15)14-16/h5-7,9H,1-4,8H2.
What are the key properties of 2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 246.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 104626020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).