3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

C8H7N3O — CID 82415483

IUPAC3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESCc1nnc2ccc(C=O)cn12
InChIInChI=1S/C8H7N3O/c1-6-9-10-8-3-2-7(5-12)4-11(6)8/h2-5H,1H3
InChIKeyFDOUUTGDSHDFGA-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.85
Rot. Bonds1

About 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (PubChem CID 82415483) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
PubChem CID82415483
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESCc1nnc2ccc(C=O)cn12
InChIInChI=1S/C8H7N3O/c1-6-9-10-8-3-2-7(5-12)4-11(6)8/h2-5H,1H3
InChIKeyFDOUUTGDSHDFGA-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (CID 82415483) is 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is Cc1nnc2ccc(C=O)cn12.
What is the InChIKey of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The InChIKey is FDOUUTGDSHDFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-9-10-8-3-2-7(5-12)4-11(6)8/h2-5H,1H3.
What are the key properties of 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-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-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 82415483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).