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

C9H12N4O — CID 68675530

IUPAC2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCCn1nc2cnccn2c1=O
InChIInChI=1S/C9H12N4O/c1-2-3-5-13-9(14)12-6-4-10-7-8(12)11-13/h4,6-7H,2-3,5H2,1H3
InChIKeyWMMJWQNZNCLJAQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.69
Rot. Bonds3

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

2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 68675530) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID68675530
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCCn1nc2cnccn2c1=O
InChIInChI=1S/C9H12N4O/c1-2-3-5-13-9(14)12-6-4-10-7-8(12)11-13/h4,6-7H,2-3,5H2,1H3
InChIKeyWMMJWQNZNCLJAQ-UHFFFAOYSA-N
XLogP0.69
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 68675530) is 2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is WMMJWQNZNCLJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-3-5-13-9(14)12-6-4-10-7-8(12)11-13/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 192.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 68675530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).