3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline

C13H12N4 — CID 82058636

IUPAC3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESCc1cccn2c(-c3cccc(N)c3)nnc12
InChIInChI=1S/C13H12N4/c1-9-4-3-7-17-12(9)15-16-13(17)10-5-2-6-11(14)8-10/h2-8H,14H2,1H3
InChIKeyJXCMYSVCQVDWOZ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.29
Rot. Bonds1

About 3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline

3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (PubChem CID 82058636) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.

Molecular Properties

Compound Name3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
PubChem CID82058636
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESCc1cccn2c(-c3cccc(N)c3)nnc12
InChIInChI=1S/C13H12N4/c1-9-4-3-7-17-12(9)15-16-13(17)10-5-2-6-11(14)8-10/h2-8H,14H2,1H3
InChIKeyJXCMYSVCQVDWOZ-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-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147131
3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
CID 82056430
3,5-bis(3-aminophenyl)-1,2,4-triazol-4-amine
CID 5302316
3-chloro-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55267696
3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145584
[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145864
1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83866519
3-(7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 82167018
3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 62695272
3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline
CID 61351813
3-(6-methylpyridazin-3-yl)aniline
CID 69120674
3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147107

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The IUPAC name of 3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (CID 82058636) is 3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.
What is the SMILES notation for 3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The canonical SMILES for 3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is Cc1cccn2c(-c3cccc(N)c3)nnc12.
What is the InChIKey of 3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The InChIKey is JXCMYSVCQVDWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-4-3-7-17-12(9)15-16-13(17)10-5-2-6-11(14)8-10/h2-8H,14H2,1H3.
What are the key properties of 3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-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-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is sourced from PubChem (CID 82058636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).