2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C8H10N4O — CID 130841261

IUPAC2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCn1nc2cnccn2c1=O
InChIInChI=1S/C8H10N4O/c1-2-4-12-8(13)11-5-3-9-6-7(11)10-12/h3,5-6H,2,4H2,1H3
InChIKeySNHYZWNEIMURRB-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.30
Rot. Bonds2

About 2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 130841261) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is 2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID130841261
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC Name2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCn1nc2cnccn2c1=O
InChIInChI=1S/C8H10N4O/c1-2-4-12-8(13)11-5-3-9-6-7(11)10-12/h3,5-6H,2,4H2,1H3
InChIKeySNHYZWNEIMURRB-UHFFFAOYSA-N
XLogP0.30
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 130841261) is 2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is SNHYZWNEIMURRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-4-12-8(13)11-5-3-9-6-7(11)10-12/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 178.20 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 130841261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).