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

C10H17N3O2 — CID 78918789

IUPAC2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(O)C(C)n1nc2n(c1=O)CCCC2
InChIInChI=1S/C10H17N3O2/c1-7(8(2)14)13-10(15)12-6-4-3-5-9(12)11-13/h7-8,14H,3-6H2,1-2H3
InChIKeyOCUUMICUQZBNSW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.32
Rot. Bonds2

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

2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 78918789) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID78918789
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(O)C(C)n1nc2n(c1=O)CCCC2
InChIInChI=1S/C10H17N3O2/c1-7(8(2)14)13-10(15)12-6-4-3-5-9(12)11-13/h7-8,14H,3-6H2,1-2H3
InChIKeyOCUUMICUQZBNSW-UHFFFAOYSA-N
XLogP0.32
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 78918789) is 2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(O)C(C)n1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is OCUUMICUQZBNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(8(2)14)13-10(15)12-6-4-3-5-9(12)11-13/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-hydroxybutan-2-yl)-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 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 78918789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).