3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine

C15H13Cl2N5S — CID 30861963

IUPAC3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1c(SCCc2ccccn2)nnc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2N5S/c16-10-4-5-13(17)12(9-10)14-20-21-15(22(14)18)23-8-6-11-3-1-2-7-19-11/h1-5,7,9H,6,8,18H2
InChIKeyQQZKCQFNKFBYMD-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.70
Rot. Bonds5

About 3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine

3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine (PubChem CID 30861963) has the molecular formula C15H13Cl2N5S and a molecular weight of 366.28 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine
PubChem CID30861963
Molecular FormulaC15H13Cl2N5S
Molecular Weight366.28 g/mol
Exact Mass365.03
IUPAC Name3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine
SMILESNn1c(SCCc2ccccn2)nnc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2N5S/c16-10-4-5-13(17)12(9-10)14-20-21-15(22(14)18)23-8-6-11-3-1-2-7-19-11/h1-5,7,9H,6,8,18H2
InChIKeyQQZKCQFNKFBYMD-UHFFFAOYSA-N
XLogP3.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,5-dichlorophenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazol-4-amine
CID 7570021
3-(2,5-dichlorophenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 7915668
3-[(4-bromophenyl)methylsulfanyl]-5-(2,5-dichlorophenyl)-1,2,4-triazol-4-amine
CID 5193529
3-(2,5-dichlorophenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2426956
2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide
CID 18291427
2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 7582582
2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine
CID 873007
3-(2-chlorophenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-4-amine
CID 9119985
2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 3946332
2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7582351
2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 4024619
(2R)-2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7915695

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine (CID 30861963) is 3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine is Nn1c(SCCc2ccccn2)nnc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine?
The InChIKey is QQZKCQFNKFBYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5S/c16-10-4-5-13(17)12(9-10)14-20-21-15(22(14)18)23-8-6-11-3-1-2-7-19-11/h1-5,7,9H,6,8,18H2.
What are the key properties of 3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine?
3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine has a molecular weight of 366.28 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 30861963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).