3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine

C16H12Cl2N6S — CID 84601588

IUPAC3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine
SMILESNn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1ccccc1Cl
InChIInChI=1S/C16H12Cl2N6S/c17-10-5-6-14-20-11(8-23(14)7-10)9-25-16-22-21-15(24(16)19)12-3-1-2-4-13(12)18/h1-8H,9,19H2
InChIKeyJGKNKPMBKSYEMX-UHFFFAOYSA-N
MW391.29 g/mol
LogP3.91
Rot. Bonds4

About 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine (PubChem CID 84601588) has the molecular formula C16H12Cl2N6S and a molecular weight of 391.29 g/mol. Its IUPAC name is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine
PubChem CID84601588
Molecular FormulaC16H12Cl2N6S
Molecular Weight391.29 g/mol
Exact Mass390.02
IUPAC Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine
SMILESNn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1ccccc1Cl
InChIInChI=1S/C16H12Cl2N6S/c17-10-5-6-14-20-11(8-23(14)7-10)9-25-16-22-21-15(24(16)19)12-3-1-2-4-13(12)18/h1-8H,9,19H2
InChIKeyJGKNKPMBKSYEMX-UHFFFAOYSA-N
XLogP3.91
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine (CID 84601588) is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine is Nn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1ccccc1Cl.
What is the InChIKey of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine?
The InChIKey is JGKNKPMBKSYEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N6S/c17-10-5-6-14-20-11(8-23(14)7-10)9-25-16-22-21-15(24(16)19)12-3-1-2-4-13(12)18/h1-8H,9,19H2.
What are the key properties of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine?
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine has a molecular weight of 391.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 84601588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).