4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

C13H12N4 — CID 82566323

IUPAC4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCc1ccn2nc(-c3ccc(N)cc3)nc2c1
InChIInChI=1S/C13H12N4/c1-9-6-7-17-12(8-9)15-13(16-17)10-2-4-11(14)5-3-10/h2-8H,14H2,1H3
InChIKeyIAAUHUMSEMLGMX-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.29
Rot. Bonds1

About 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (PubChem CID 82566323) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
PubChem CID82566323
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCc1ccn2nc(-c3ccc(N)cc3)nc2c1
InChIInChI=1S/C13H12N4/c1-9-6-7-17-12(8-9)15-13(16-17)10-2-4-11(14)5-3-10/h2-8H,14H2,1H3
InChIKeyIAAUHUMSEMLGMX-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

4-(7-amino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 136927132
3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566326
N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 116989693
2-(5-cyclopropyl-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 90330742
N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 172993800
(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116989782
2-(2-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 16751701
2-(1H-indol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 175926961
2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567186
2-(methoxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171439840
2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 90330851
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566376

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The IUPAC name of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (CID 82566323) is 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.
What is the SMILES notation for 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The canonical SMILES for 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is Cc1ccn2nc(-c3ccc(N)cc3)nc2c1.
What is the InChIKey of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The InChIKey is IAAUHUMSEMLGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-6-7-17-12(8-9)15-13(16-17)10-2-4-11(14)5-3-10/h2-8H,14H2,1H3.
What are the key properties of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
4-(7-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 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is sourced from PubChem (CID 82566323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).