3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C13H11ClN6 — CID 56595688

IUPAC3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2ccccc2Cl)nn1-c1ccccn1
InChIInChI=1S/C13H11ClN6/c14-9-5-1-2-6-10(9)17-13-18-12(15)20(19-13)11-7-3-4-8-16-11/h1-8H,(H3,15,17,18,19)
InChIKeyKIUVCQMGYRAZME-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.64
Rot. Bonds3

About 3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 56595688) has the molecular formula C13H11ClN6 and a molecular weight of 286.73 g/mol. Its IUPAC name is 3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
PubChem CID56595688
Molecular FormulaC13H11ClN6
Molecular Weight286.73 g/mol
Exact Mass286.07
IUPAC Name3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2ccccc2Cl)nn1-c1ccccn1
InChIInChI=1S/C13H11ClN6/c14-9-5-1-2-6-10(9)17-13-18-12(15)20(19-13)11-7-3-4-8-16-11/h1-8H,(H3,15,17,18,19)
InChIKeyKIUVCQMGYRAZME-UHFFFAOYSA-N
XLogP2.64
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 56595688) is 3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is Nc1nc(Nc2ccccc2Cl)nn1-c1ccccn1.
What is the InChIKey of 3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The InChIKey is KIUVCQMGYRAZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6/c14-9-5-1-2-6-10(9)17-13-18-12(15)20(19-13)11-7-3-4-8-16-11/h1-8H,(H3,15,17,18,19).
What are the key properties of 3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 286.73 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-chlorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 56595688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).