3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine

C10H11ClN4S — CID 7405377

IUPAC3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine
SMILESC[C@H](Sc1nncn1N)c1ccccc1Cl
InChIInChI=1S/C10H11ClN4S/c1-7(8-4-2-3-5-9(8)11)16-10-14-13-6-15(10)12/h2-7H,12H2,1H3/t7-/m0/s1
InChIKeyWOSJHLVHRRDANL-ZETCQYMHSA-N
MW254.75 g/mol
LogP2.50
Rot. Bonds3

About 3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine

3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine (PubChem CID 7405377) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine
PubChem CID7405377
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine
SMILESC[C@H](Sc1nncn1N)c1ccccc1Cl
InChIInChI=1S/C10H11ClN4S/c1-7(8-4-2-3-5-9(8)11)16-10-14-13-6-15(10)12/h2-7H,12H2,1H3/t7-/m0/s1
InChIKeyWOSJHLVHRRDANL-ZETCQYMHSA-N
XLogP2.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine 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

3-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 8025445
3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 7638246
3-[1-(2-chlorophenyl)ethylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 4825071
2-[[4-amino-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
CID 31237411
3-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole
CID 16518810
1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole
CID 7856922
3-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-4,5-diphenyl-1,2,4-triazole
CID 7841267
5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 47124356
1-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17422518
3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole
CID 18292838
5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole
CID 7534712
(2S)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 7977944

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine (CID 7405377) is 3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine is C[C@H](Sc1nncn1N)c1ccccc1Cl.
What is the InChIKey of 3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine?
The InChIKey is WOSJHLVHRRDANL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-7(8-4-2-3-5-9(8)11)16-10-14-13-6-15(10)12/h2-7H,12H2,1H3/t7-/m0/s1.
What are the key properties of 3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine?
3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine has a molecular weight of 254.75 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 7405377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).