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

C14H11N3O — CID 83965837

IUPAC7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1cc2nc(-c3ccccc3)nn2cc1C=O
InChIInChI=1S/C14H11N3O/c1-10-7-13-15-14(11-5-3-2-4-6-11)16-17(13)8-12(10)9-18/h2-9H,1H3
InChIKeyHWLTXVIJEMIDPM-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.52
Rot. Bonds2

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

7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 83965837) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID83965837
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1cc2nc(-c3ccccc3)nn2cc1C=O
InChIInChI=1S/C14H11N3O/c1-10-7-13-15-14(11-5-3-2-4-6-11)16-17(13)8-12(10)9-18/h2-9H,1H3
InChIKeyHWLTXVIJEMIDPM-UHFFFAOYSA-N
XLogP2.52
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.52
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 7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (CID 83965837) is 7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is Cc1cc2nc(-c3ccccc3)nn2cc1C=O.
What is the InChIKey of 7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is HWLTXVIJEMIDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-7-13-15-14(11-5-3-2-4-6-11)16-17(13)8-12(10)9-18/h2-9H,1H3.
What are the key properties of 7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 83965837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).