5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole

C18H16N6S2 — CID 164610480

IUPAC5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
SMILESCc1ccccc1-c1nc(SSc2n[nH]c(-c3ccccc3C)n2)n[nH]1
InChIInChI=1S/C18H16N6S2/c1-11-7-3-5-9-13(11)15-19-17(23-21-15)25-26-18-20-16(22-24-18)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyUEEFLJRFMVXPAX-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.67
Rot. Bonds5

About 5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole

5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole (PubChem CID 164610480) has the molecular formula C18H16N6S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
PubChem CID164610480
Molecular FormulaC18H16N6S2
Molecular Weight380.50 g/mol
Exact Mass380.09
IUPAC Name5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
SMILESCc1ccccc1-c1nc(SSc2n[nH]c(-c3ccccc3C)n2)n[nH]1
InChIInChI=1S/C18H16N6S2/c1-11-7-3-5-9-13(11)15-19-17(23-21-15)25-26-18-20-16(22-24-18)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyUEEFLJRFMVXPAX-UHFFFAOYSA-N
XLogP4.67
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole 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

3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
5-[2-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 9931685
6-(2-Methylphenyl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 664696
5-benzyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 2147143
3-Phenyl-5-p-tolyl-S-triazole
CID 134528
5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)disulfanyl]-1H-1,2,4-triazole
CID 2748790
5-[4''-(2,5-Dibutyl-2H-[1,2,4]triazol-3-ylmethyl)-biphenyl-2-yl]-1H-tetrazole
CID 9823146
5-[4''-(3-Butyl-5-methylsulfanyl-[1,2,4]triazol-4-ylmethyl)-biphenyl-2-yl]-1H-tetrazole
CID 10076683
3-(Cyclohexyldisulfanyl)-5-phenyl-1,2,4-triazol-4-amine
CID 71562931
3-(Methylsulfanyl)-5-phenyl-1H-1,2,4-triazole
CID 605612
5-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 684580
5-(4-chlorophenyl)-3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
CID 13074629

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
The IUPAC name of 5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole (CID 164610480) is 5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole is Cc1ccccc1-c1nc(SSc2n[nH]c(-c3ccccc3C)n2)n[nH]1.
What is the InChIKey of 5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
The InChIKey is UEEFLJRFMVXPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S2/c1-11-7-3-5-9-13(11)15-19-17(23-21-15)25-26-18-20-16(22-24-18)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24).
What are the key properties of 5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole has a molecular weight of 380.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-[[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole is sourced from PubChem (CID 164610480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).