7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde

C8H11N3O — CID 83873319

IUPAC7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde
SMILESCC1CCn2nc(C=O)nc2C1
InChIInChI=1S/C8H11N3O/c1-6-2-3-11-8(4-6)9-7(5-12)10-11/h5-6H,2-4H2,1H3
InChIKeyWMHLSPNNWARGRJ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.67
Rot. Bonds1

About 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde

7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde (PubChem CID 83873319) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde
PubChem CID83873319
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde
SMILESCC1CCn2nc(C=O)nc2C1
InChIInChI=1S/C8H11N3O/c1-6-2-3-11-8(4-6)9-7(5-12)10-11/h5-6H,2-4H2,1H3
InChIKeyWMHLSPNNWARGRJ-UHFFFAOYSA-N
XLogP0.67
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

7-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157012
2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157005
N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
CID 117157081
7-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117156634
4-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83966787
7-methyl-2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117156612
7-methyl-2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157026
7-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117156529
2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117156702
2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117156744
3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127928
7-methyl-2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117156688

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde?
The IUPAC name of 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde (CID 83873319) is 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde?
The canonical SMILES for 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde is CC1CCn2nc(C=O)nc2C1.
What is the InChIKey of 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde?
The InChIKey is WMHLSPNNWARGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-2-3-11-8(4-6)9-7(5-12)10-11/h5-6H,2-4H2,1H3.
What are the key properties of 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde?
7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde has a molecular weight of 165.20 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 83873319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).