5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole

C22H17N7S — CID 1253667

IUPAC5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole
SMILESc1ccc(Cn2c(Sc3nnnn3-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C22H17N7S/c1-4-10-17(11-5-1)16-28-20(18-12-6-2-7-13-18)23-24-21(28)30-22-25-26-27-29(22)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyHGGCFYNXVNWGBC-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.12
Rot. Bonds6

About 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole

5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole (PubChem CID 1253667) has the molecular formula C22H17N7S and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole
PubChem CID1253667
Molecular FormulaC22H17N7S
Molecular Weight411.49 g/mol
Exact Mass411.13
IUPAC Name5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole
SMILESc1ccc(Cn2c(Sc3nnnn3-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C22H17N7S/c1-4-10-17(11-5-1)16-28-20(18-12-6-2-7-13-18)23-24-21(28)30-22-25-26-27-29(22)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyHGGCFYNXVNWGBC-UHFFFAOYSA-N
XLogP4.12
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole 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

1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
4-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)pyridine
CID 4596790
ethyl 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 1151992
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 17449592
4-(5-benzhydrylsulfanyl-4-benzyl-1,2,4-triazol-3-yl)pyridine
CID 35794664
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
1-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-one
CID 561163
1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 2649844
(1-phenyltetrazol-5-yl)sulfanylcarbamic acid
CID 19435783
4-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
CID 1239283
4-[4-benzyl-5-[(1R)-1-phenylethyl]sulfanyl-1,2,4-triazol-3-yl]pyridine
CID 7988668
[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine
CID 62685186

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole?
The IUPAC name of 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole (CID 1253667) is 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole is c1ccc(Cn2c(Sc3nnnn3-c3ccccc3)nnc2-c2ccccc2)cc1.
What is the InChIKey of 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole?
The InChIKey is HGGCFYNXVNWGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7S/c1-4-10-17(11-5-1)16-28-20(18-12-6-2-7-13-18)23-24-21(28)30-22-25-26-27-29(22)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole?
5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole has a molecular weight of 411.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole is sourced from PubChem (CID 1253667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).