2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C10H17N3O2 — CID 62935616

IUPAC2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(O)CCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C10H17N3O2/c1-8(14)5-7-13-10(15)12-6-3-2-4-9(12)11-13/h8,14H,2-7H2,1H3
InChIKeyVKZVWNZHTNYWFG-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.15
Rot. Bonds3

About 2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62935616) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62935616
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(O)CCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C10H17N3O2/c1-8(14)5-7-13-10(15)12-6-3-2-4-9(12)11-13/h8,14H,2-7H2,1H3
InChIKeyVKZVWNZHTNYWFG-UHFFFAOYSA-N
XLogP0.15
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62935616) is 2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(O)CCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is VKZVWNZHTNYWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(14)5-7-13-10(15)12-6-3-2-4-9(12)11-13/h8,14H,2-7H2,1H3.
What are the key properties of 2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62935616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).