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

C14H14N4 — CID 78962030

IUPAC3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
SMILESNc1cccc(CCc2nnc3ccccn23)c1
InChIInChI=1S/C14H14N4/c15-12-5-3-4-11(10-12)7-8-14-17-16-13-6-1-2-9-18(13)14/h1-6,9-10H,7-8,15H2
InChIKeyOLTQKRUKYCODQB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.10
Rot. Bonds3

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

3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline (PubChem CID 78962030) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
PubChem CID78962030
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
SMILESNc1cccc(CCc2nnc3ccccn23)c1
InChIInChI=1S/C14H14N4/c15-12-5-3-4-11(10-12)7-8-14-17-16-13-6-1-2-9-18(13)14/h1-6,9-10H,7-8,15H2
InChIKeyOLTQKRUKYCODQB-UHFFFAOYSA-N
XLogP2.10
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
CID 82058656
2-(3-aminophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 65349831
3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline
CID 28751259
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride
CID 56723920
N-[(3-methylphenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 28656281
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine
CID 68903381
1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711073
4-[2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]aniline
CID 113290443
N-[(4-bromophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 27657524
3-[2-[5-(2-thiophen-3-ylethyl)tetrazol-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 166399843

Frequently Asked Questions

What is the IUPAC name of 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline?
The IUPAC name of 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline (CID 78962030) is 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline?
The canonical SMILES for 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline is Nc1cccc(CCc2nnc3ccccn23)c1.
What is the InChIKey of 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline?
The InChIKey is OLTQKRUKYCODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-12-5-3-4-11(10-12)7-8-14-17-16-13-6-1-2-9-18(13)14/h1-6,9-10H,7-8,15H2.
What are the key properties of 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline?
3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline has a molecular weight of 238.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline is sourced from PubChem (CID 78962030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).