3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

C13H12N4 — CID 82566376

IUPAC3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCc1ccc2nc(-c3cccc(N)c3)nn2c1
InChIInChI=1S/C13H12N4/c1-9-5-6-12-15-13(16-17(12)8-9)10-3-2-4-11(14)7-10/h2-8H,14H2,1H3
InChIKeyZZBPWENSUJBDTD-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.29
Rot. Bonds1

About 3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (PubChem CID 82566376) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.

Molecular Properties

Compound Name3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
PubChem CID82566376
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCc1ccc2nc(-c3cccc(N)c3)nn2c1
InChIInChI=1S/C13H12N4/c1-9-5-6-12-15-13(16-17(12)8-9)10-3-2-4-11(14)7-10/h2-8H,14H2,1H3
InChIKeyZZBPWENSUJBDTD-UHFFFAOYSA-N
XLogP2.29
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566380
2-(3-aminophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117128011
5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline
CID 83966904
2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566386
2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566407
2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 82389030
4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127908
methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130742
6-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83964997
2-(5-ethyl-3-pyridinyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 89472371
5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
CID 83966941
[2-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117130710

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The IUPAC name of 3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (CID 82566376) is 3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.
What is the SMILES notation for 3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The canonical SMILES for 3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is Cc1ccc2nc(-c3cccc(N)c3)nn2c1.
What is the InChIKey of 3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The InChIKey is ZZBPWENSUJBDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-5-6-12-15-13(16-17(12)8-9)10-3-2-4-11(14)7-10/h2-8H,14H2,1H3.
What are the key properties of 3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline has a molecular weight of 224.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is sourced from PubChem (CID 82566376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).