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

C10H13N3O2 — CID 60887002

IUPAC2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCC(O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C10H13N3O2/c1-2-8(14)7-13-10(15)12-6-4-3-5-9(12)11-13/h3-6,8,14H,2,7H2,1H3
InChIKeyBRNXMYXSWOGDKT-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.27
Rot. Bonds3

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

2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 60887002) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID60887002
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCC(O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C10H13N3O2/c1-2-8(14)7-13-10(15)12-6-4-3-5-9(12)11-13/h3-6,8,14H,2,7H2,1H3
InChIKeyBRNXMYXSWOGDKT-UHFFFAOYSA-N
XLogP0.27
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 60887002) is 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCC(O)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is BRNXMYXSWOGDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-8(14)7-13-10(15)12-6-4-3-5-9(12)11-13/h3-6,8,14H,2,7H2,1H3.
What are the key properties of 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 207.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 60887002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).