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

C9H13N3O — CID 83875145

IUPAC1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
SMILESCC(=O)C1CCn2c(C)nnc2C1
InChIInChI=1S/C9H13N3O/c1-6(13)8-3-4-12-7(2)10-11-9(12)5-8/h8H,3-5H2,1-2H3
InChIKeySYNLONFZYCYDLA-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.74
Rot. Bonds1

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

1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone (PubChem CID 83875145) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
PubChem CID83875145
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
SMILESCC(=O)C1CCn2c(C)nnc2C1
InChIInChI=1S/C9H13N3O/c1-6(13)8-3-4-12-7(2)10-11-9(12)5-8/h8H,3-5H2,1-2H3
InChIKeySYNLONFZYCYDLA-UHFFFAOYSA-N
XLogP0.74
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone (CID 83875145) is 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone is CC(=O)C1CCn2c(C)nnc2C1.
What is the InChIKey of 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone?
The InChIKey is SYNLONFZYCYDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(13)8-3-4-12-7(2)10-11-9(12)5-8/h8H,3-5H2,1-2H3.
What are the key properties of 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone?
1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone has a molecular weight of 179.22 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 83875145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).