5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

C12H9Cl2N5 — CID 155537615

IUPAC5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESNc1nc2c(N)ccc(-c3cccc(Cl)c3Cl)n2n1
InChIInChI=1S/C12H9Cl2N5/c13-7-3-1-2-6(10(7)14)9-5-4-8(15)11-17-12(16)18-19(9)11/h1-5H,15H2,(H2,16,18)
InChIKeyGXNVBZVGEQCMRG-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.87
Rot. Bonds1

About 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (PubChem CID 155537615) has the molecular formula C12H9Cl2N5 and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
PubChem CID155537615
Molecular FormulaC12H9Cl2N5
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESNc1nc2c(N)ccc(-c3cccc(Cl)c3Cl)n2n1
InChIInChI=1S/C12H9Cl2N5/c13-7-3-1-2-6(10(7)14)9-5-4-8(15)11-17-12(16)18-19(9)11/h1-5H,15H2,(H2,16,18)
InChIKeyGXNVBZVGEQCMRG-UHFFFAOYSA-N
XLogP2.87
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The IUPAC name of 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (CID 155537615) is 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The canonical SMILES for 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is Nc1nc2c(N)ccc(-c3cccc(Cl)c3Cl)n2n1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The InChIKey is GXNVBZVGEQCMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5/c13-7-3-1-2-6(10(7)14)9-5-4-8(15)11-17-12(16)18-19(9)11/h1-5H,15H2,(H2,16,18).
What are the key properties of 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine has a molecular weight of 294.15 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is sourced from PubChem (CID 155537615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).