3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine

C21H24N4S — CID 16756059

IUPAC3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine
SMILESc1ccc(-c2ccccc2Nc2nc(SCC3CCCCC3)n[nH]2)cc1
InChIInChI=1S/C21H24N4S/c1-3-9-16(10-4-1)15-26-21-23-20(24-25-21)22-19-14-8-7-13-18(19)17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H2,22,23,24,25)
InChIKeyNAUIOAAAANZLAH-UHFFFAOYSA-N
MW364.52 g/mol
LogP5.89
Rot. Bonds6

About 3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine

3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine (PubChem CID 16756059) has the molecular formula C21H24N4S and a molecular weight of 364.52 g/mol. Its IUPAC name is 3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine
PubChem CID16756059
Molecular FormulaC21H24N4S
Molecular Weight364.52 g/mol
Exact Mass364.17
IUPAC Name3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine
SMILESc1ccc(-c2ccccc2Nc2nc(SCC3CCCCC3)n[nH]2)cc1
InChIInChI=1S/C21H24N4S/c1-3-9-16(10-4-1)15-26-21-23-20(24-25-21)22-19-14-8-7-13-18(19)17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H2,22,23,24,25)
InChIKeyNAUIOAAAANZLAH-UHFFFAOYSA-N
XLogP5.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.52
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-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

5-(Benzylthio)-N-(p-tolyl)-1H-1,2,4-triazol-3-amine
CID 9796214
5-(benzylsulfanyl)-N-(4-chlorophenyl)-4H-1,2,4-triazol-3-amine
CID 9818391
3-Anilino-5-benzylthio-1,2,4-triazole
CID 9838682
5-(benzylsulfanyl)-N-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 9900824
5-{[(2-fluorophenyl)methyl]sulfanyl}-N-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 16757239
5-{[(2-fluorophenyl)methyl]sulfanyl}-N-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 16757342
N-(2-Isopropylphenyl)-3-[(2-Thienylmethyl)thio]-1h-1,2,4-Triazol-5-Amine
CID 16129576
5-[(3-methylbut-2-en-1-yl)sulfanyl]-N-phenyl-4H-1,2,4-triazol-3-amine
CID 16756267
5-[(3-methylbut-2-en-1-yl)sulfanyl]-N-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 16757243
5-{[(3,4-difluorophenyl)methyl]sulfanyl}-N-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 9840569
N-(4-chlorophenyl)-5-[(cyclohexylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9861976
N-(4-chlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine
CID 9862362

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine (CID 16756059) is 3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine is c1ccc(-c2ccccc2Nc2nc(SCC3CCCCC3)n[nH]2)cc1.
What is the InChIKey of 3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is NAUIOAAAANZLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4S/c1-3-9-16(10-4-1)15-26-21-23-20(24-25-21)22-19-14-8-7-13-18(19)17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H2,22,23,24,25).
What are the key properties of 3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine?
3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 364.52 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylsulfanyl)-N-(2-phenylphenyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 16756059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).