7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

C15H13N3O — CID 83965839

IUPAC7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1cccc(-c2nc3cc(C)c(C=O)cn3n2)c1
InChIInChI=1S/C15H13N3O/c1-10-4-3-5-12(6-10)15-16-14-7-11(2)13(9-19)8-18(14)17-15/h3-9H,1-2H3
InChIKeyDEFKWFNMQUJWJN-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.83
Rot. Bonds2

About 7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 83965839) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID83965839
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1cccc(-c2nc3cc(C)c(C=O)cn3n2)c1
InChIInChI=1S/C15H13N3O/c1-10-4-3-5-12(6-10)15-16-14-7-11(2)13(9-19)8-18(14)17-15/h3-9H,1-2H3
InChIKeyDEFKWFNMQUJWJN-UHFFFAOYSA-N
XLogP2.83
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.83
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

7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83965837
2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83965863
2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 82389030
methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130742
5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133001
3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566326
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566380
6-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83964997
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566376
N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 116989693
1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde
CID 84669489
6-bromo-7-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83965227

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (CID 83965839) is 7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is Cc1cccc(-c2nc3cc(C)c(C=O)cn3n2)c1.
What is the InChIKey of 7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is DEFKWFNMQUJWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-4-3-5-12(6-10)15-16-14-7-11(2)13(9-19)8-18(14)17-15/h3-9H,1-2H3.
What are the key properties of 7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 83965839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).