2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine

C10H11ClN4S — CID 114865862

IUPAC2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1Sc1ncn[nH]1
InChIInChI=1S/C10H11ClN4S/c11-8-1-2-9(7(5-8)3-4-12)16-10-13-6-14-15-10/h1-2,5-6H,3-4,12H2,(H,13,14,15)
InChIKeyDYEIHQGUHISIBD-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.11
Rot. Bonds4

About 2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine

2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine (PubChem CID 114865862) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine
PubChem CID114865862
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1Sc1ncn[nH]1
InChIInChI=1S/C10H11ClN4S/c11-8-1-2-9(7(5-8)3-4-12)16-10-13-6-14-15-10/h1-2,5-6H,3-4,12H2,(H,13,14,15)
InChIKeyDYEIHQGUHISIBD-UHFFFAOYSA-N
XLogP2.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine 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

2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854
5-(2-chloro-3-fluorophenyl)sulfanyl-1H-1,2,4-triazole
CID 141410483
[4-bromo-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine
CID 63805586
1-[4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanol
CID 20980066
1-[5-bromo-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butan-2-amine
CID 114062123
1-[3-chloro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-N-methylmethanamine
CID 81159984
5-amino-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide
CID 56772874
N-[[3-chloro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 81160093
2-(2-butylsulfanyl-5-chlorophenyl)ethanamine
CID 114866234
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine
CID 67018468
[6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine
CID 130551424

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine (CID 114865862) is 2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine is NCCc1cc(Cl)ccc1Sc1ncn[nH]1.
What is the InChIKey of 2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine?
The InChIKey is DYEIHQGUHISIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c11-8-1-2-9(7(5-8)3-4-12)16-10-13-6-14-15-10/h1-2,5-6H,3-4,12H2,(H,13,14,15).
What are the key properties of 2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine?
2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine has a molecular weight of 254.75 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 114865862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).