6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

C15H14Cl3N3S — CID 46226972

IUPAC6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)c1nnc2ccc(Sc3ccc(Cl)cc3Cl)cn12.Cl
InChIInChI=1S/C15H13Cl2N3S.ClH/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)21-13-5-3-10(16)7-12(13)17;/h3-9H,1-2H3;1H
InChIKeyGPTUKJOOLRDMGH-UHFFFAOYSA-N
MW374.72 g/mol
LogP5.73
Rot. Bonds3

About 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride

6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (PubChem CID 46226972) has the molecular formula C15H14Cl3N3S and a molecular weight of 374.72 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
PubChem CID46226972
Molecular FormulaC15H14Cl3N3S
Molecular Weight374.72 g/mol
Exact Mass373.00
IUPAC Name6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
SMILESCC(C)c1nnc2ccc(Sc3ccc(Cl)cc3Cl)cn12.Cl
InChIInChI=1S/C15H13Cl2N3S.ClH/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)21-13-5-3-10(16)7-12(13)17;/h3-9H,1-2H3;1H
InChIKeyGPTUKJOOLRDMGH-UHFFFAOYSA-N
XLogP5.73
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.72
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11702482
CID 11702482
CID 11717079
CID 11717079
CID 15953467
CID 15953467
CID 46226944
CID 46226944
CID 46227809
CID 46227809
CID 46227812
CID 46227812
CID 46227815
CID 46227815
CID 2622698
CID 2622698
CID 46227814
CID 46227814
CID 56666351
CID 56666351
CID 11702517
CID 11702517
CID 15953420
CID 15953420

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The IUPAC name of 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride (CID 46226972) is 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride.
What is the SMILES notation for 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The canonical SMILES for 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is CC(C)c1nnc2ccc(Sc3ccc(Cl)cc3Cl)cn12.Cl.
What is the InChIKey of 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
The InChIKey is GPTUKJOOLRDMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3S.ClH/c1-9(2)15-19-18-14-6-4-11(8-20(14)15)21-13-5-3-10(16)7-12(13)17;/h3-9H,1-2H3;1H.
What are the key properties of 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride?
6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride has a molecular weight of 374.72 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride is sourced from PubChem (CID 46226972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).