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

C9H12N4O2 — CID 66272838

IUPAC2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(O)CCn1nc2cnccn2c1=O
InChIInChI=1S/C9H12N4O2/c1-7(14)2-4-13-9(15)12-5-3-10-6-8(12)11-13/h3,5-7,14H,2,4H2,1H3
InChIKeyBVUCWXUHTSPEKC-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.34
Rot. Bonds3

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

2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272838) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272838
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(O)CCn1nc2cnccn2c1=O
InChIInChI=1S/C9H12N4O2/c1-7(14)2-4-13-9(15)12-5-3-10-6-8(12)11-13/h3,5-7,14H,2,4H2,1H3
InChIKeyBVUCWXUHTSPEKC-UHFFFAOYSA-N
XLogP-0.34
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272838) is 2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(O)CCn1nc2cnccn2c1=O.
What is the InChIKey of 2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is BVUCWXUHTSPEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-7(14)2-4-13-9(15)12-5-3-10-6-8(12)11-13/h3,5-7,14H,2,4H2,1H3.
What are the key properties of 2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 208.22 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).