3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde

C8H7N3O — CID 10374726

IUPAC3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde
SMILESCc1nnn2c(C=O)cccc12
InChIInChI=1S/C8H7N3O/c1-6-8-4-2-3-7(5-12)11(8)10-9-6/h2-5H,1H3
InChIKeyCSZRMKKLQNBTIG-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.85
Rot. Bonds1

About 3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde

3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde (PubChem CID 10374726) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde
PubChem CID10374726
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde
SMILESCc1nnn2c(C=O)cccc12
InChIInChI=1S/C8H7N3O/c1-6-8-4-2-3-7(5-12)11(8)10-9-6/h2-5H,1H3
InChIKeyCSZRMKKLQNBTIG-UHFFFAOYSA-N
XLogP0.85
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-7-[(1E,3E)-4-(5-methyl-2H-triazol-4-yl)buta-1,3-dienyl]triazolo[1,5-a]pyridine
CID 135447735
2-(methylamino)-1-(3-methyltriazolo[1,5-a]pyridin-7-yl)ethanone
CID 84672312
2-amino-1-(3-methyltriazolo[1,5-a]pyridin-7-yl)propan-1-ol
CID 84674225
pyrazolo[1,5-a]pyridine-7-carbaldehyde
CID 10866474
1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde
CID 83875633
3-bromo-7-methyltriazolo[1,5-a]pyridine
CID 83821057
2-(hydroxymethyl)pyrazolo[1,5-a]pyridine-7-carbaldehyde
CID 89042032
1-(methylamino)benzotriazole-4-carbaldehyde
CID 174672383
3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141106
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 115004120
1-methylpyrrole-2-carbaldehyde;hydrobromide
CID 175223674
1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbaldehyde
CID 2772325

Frequently Asked Questions

What is the IUPAC name of 3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde (CID 10374726) is 3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde is Cc1nnn2c(C=O)cccc12.
What is the InChIKey of 3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde?
The InChIKey is CSZRMKKLQNBTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-8-4-2-3-7(5-12)11(8)10-9-6/h2-5H,1H3.
What are the key properties of 3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde?
3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 10374726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).