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

C9H13N3O2 — CID 62937165

IUPAC2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(=O)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C9H13N3O2/c1-7(13)6-12-9(14)11-5-3-2-4-8(11)10-12/h2-6H2,1H3
InChIKeyALTSQGDMFOSSOT-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.03
Rot. Bonds2

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

2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62937165) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62937165
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(=O)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C9H13N3O2/c1-7(13)6-12-9(14)11-5-3-2-4-8(11)10-12/h2-6H2,1H3
InChIKeyALTSQGDMFOSSOT-UHFFFAOYSA-N
XLogP-0.03
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62937165) is 2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(=O)Cn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ALTSQGDMFOSSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7(13)6-12-9(14)11-5-3-2-4-8(11)10-12/h2-6H2,1H3.
What are the key properties of 2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 195.22 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62937165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).