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

C12H9ClN4 — CID 63724464

IUPAC3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESNc1cccc(Cl)c1-c1nnc2ccccn12
InChIInChI=1S/C12H9ClN4/c13-8-4-3-5-9(14)11(8)12-16-15-10-6-1-2-7-17(10)12/h1-7H,14H2
InChIKeyGJTIUTRQFJDSIA-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.63
Rot. Bonds1

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

3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (PubChem CID 63724464) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.

Molecular Properties

Compound Name3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
PubChem CID63724464
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESNc1cccc(Cl)c1-c1nnc2ccccn12
InChIInChI=1S/C12H9ClN4/c13-8-4-3-5-9(14)11(8)12-16-15-10-6-1-2-7-17(10)12/h1-7H,14H2
InChIKeyGJTIUTRQFJDSIA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The IUPAC name of 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (CID 63724464) is 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.
What is the SMILES notation for 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The canonical SMILES for 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is Nc1cccc(Cl)c1-c1nnc2ccccn12.
What is the InChIKey of 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The InChIKey is GJTIUTRQFJDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-8-4-3-5-9(14)11(8)12-16-15-10-6-1-2-7-17(10)12/h1-7H,14H2.
What are the key properties of 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
3-chloro-2-([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-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is sourced from PubChem (CID 63724464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).