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

C8H7N3O — CID 83873006

IUPAC5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde
SMILESCc1cccc2nc(C=O)nn12
InChIInChI=1S/C8H7N3O/c1-6-3-2-4-8-9-7(5-12)10-11(6)8/h2-5H,1H3
InChIKeyDVLNDEDFZUSJCE-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.85
Rot. Bonds1

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

5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde (PubChem CID 83873006) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde
PubChem CID83873006
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde
SMILESCc1cccc2nc(C=O)nn12
InChIInChI=1S/C8H7N3O/c1-6-3-2-4-8-9-7(5-12)10-11(6)8/h2-5H,1H3
InChIKeyDVLNDEDFZUSJCE-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

5-methyl-2-[(E)-2-[5-(5-methylfuran-2-yl)-3H-pyrrol-2-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162048496
4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83966917
4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127909
5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133001
2-azido-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 80583618
5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde
CID 90026469
7-methylpyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 83826580
3-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanenitrile
CID 116989506
[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanol
CID 116989541
2-amino-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanol
CID 116989528
5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566432
N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopropanamine
CID 116989478

Frequently Asked Questions

What is the IUPAC name of 5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde?
The IUPAC name of 5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde (CID 83873006) is 5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde?
The canonical SMILES for 5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde is Cc1cccc2nc(C=O)nn12.
What is the InChIKey of 5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde?
The InChIKey is DVLNDEDFZUSJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-3-2-4-8-9-7(5-12)10-11(6)8/h2-5H,1H3.
What are the key properties of 5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde?
5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-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 5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 83873006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).