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

C9H12N4O2 — CID 66271553

IUPAC2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C9H12N4O2/c1-2-7(14)6-13-9(15)12-4-3-10-5-8(12)11-13/h3-5,7,14H,2,6H2,1H3
InChIKeyGDNUNLREETXORK-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.34
Rot. Bonds3

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

2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271553) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271553
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C9H12N4O2/c1-2-7(14)6-13-9(15)12-4-3-10-5-8(12)11-13/h3-5,7,14H,2,6H2,1H3
InChIKeyGDNUNLREETXORK-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-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271553) is 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCC(O)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is GDNUNLREETXORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-2-7(14)6-13-9(15)12-4-3-10-5-8(12)11-13/h3-5,7,14H,2,6H2,1H3.
What are the key properties of 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2-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-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).