5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H8Cl2N4 — CID 82556507

IUPAC5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(-c3cccc(Cl)c3Cl)n2n1
InChIInChI=1S/C12H8Cl2N4/c13-8-4-1-3-7(11(8)14)9-5-2-6-10-16-12(15)17-18(9)10/h1-6H,(H2,15,17)
InChIKeyJFVBFJXXXHHBSP-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.29
Rot. Bonds1

About 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82556507) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82556507
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(-c3cccc(Cl)c3Cl)n2n1
InChIInChI=1S/C12H8Cl2N4/c13-8-4-1-3-7(11(8)14)9-5-2-6-10-16-12(15)17-18(9)10/h1-6H,(H2,15,17)
InChIKeyJFVBFJXXXHHBSP-UHFFFAOYSA-N
XLogP3.29
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82556507) is 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2cccc(-c3cccc(Cl)c3Cl)n2n1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JFVBFJXXXHHBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c13-8-4-1-3-7(11(8)14)9-5-2-6-10-16-12(15)17-18(9)10/h1-6H,(H2,15,17).
What are the key properties of 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 279.13 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82556507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).