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

C12H9ClN4 — CID 61398971

IUPAC3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESNc1ccc(-c2nnc3ccccn23)c(Cl)c1
InChIInChI=1S/C12H9ClN4/c13-10-7-8(14)4-5-9(10)12-16-15-11-3-1-2-6-17(11)12/h1-7H,14H2
InChIKeyCPLPLJLOPRBYKF-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.63
Rot. Bonds1

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

3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (PubChem CID 61398971) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.

Molecular Properties

Compound Name3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
PubChem CID61398971
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESNc1ccc(-c2nnc3ccccn23)c(Cl)c1
InChIInChI=1S/C12H9ClN4/c13-10-7-8(14)4-5-9(10)12-16-15-11-3-1-2-6-17(11)12/h1-7H,14H2
InChIKeyCPLPLJLOPRBYKF-UHFFFAOYSA-N
XLogP2.63
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)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

4-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 24697491
3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 63724464
3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 106863675
4,5-difluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 62865900
2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 54924253
5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine
CID 63154670
3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 4730548
3-chloro-4-phenylaniline;hydrochloride
CID 91622859
4-(1-tert-butyltetrazol-5-yl)-3-chloroaniline
CID 61351469
4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine
CID 24694789
3-chloro-4-(4-phenylphenyl)aniline
CID 107615840
2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 137006538

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The IUPAC name of 3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (CID 61398971) is 3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.
What is the SMILES notation for 3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The canonical SMILES for 3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is Nc1ccc(-c2nnc3ccccn23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The InChIKey is CPLPLJLOPRBYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-10-7-8(14)4-5-9(10)12-16-15-11-3-1-2-6-17(11)12/h1-7H,14H2.
What are the key properties of 3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline has a molecular weight of 244.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is sourced from PubChem (CID 61398971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).