5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine

C16H14N8S2 — CID 138721906

IUPAC5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine
SMILESNc1nnc(SSc2nnc(N)n2-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H14N8S2/c17-13-19-21-15(23(13)11-7-3-1-4-8-11)25-26-16-22-20-14(18)24(16)12-9-5-2-6-10-12/h1-10H,(H2,17,19)(H2,18,20)
InChIKeyVEGKRWVEMOLULK-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.81
Rot. Bonds5

About 5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine

5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine (PubChem CID 138721906) has the molecular formula C16H14N8S2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine
PubChem CID138721906
Molecular FormulaC16H14N8S2
Molecular Weight382.48 g/mol
Exact Mass382.08
IUPAC Name5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine
SMILESNc1nnc(SSc2nnc(N)n2-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H14N8S2/c17-13-19-21-15(23(13)11-7-3-1-4-8-11)25-26-16-22-20-14(18)24(16)12-9-5-2-6-10-12/h1-10H,(H2,17,19)(H2,18,20)
InChIKeyVEGKRWVEMOLULK-UHFFFAOYSA-N
XLogP2.81
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine with MolForge

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Related Compounds

4-phenyl-5-[[4-phenyl-5-[(4-phenyl-5-sulfanyl-1,2,4-triazol-3-yl)disulfanyl]-1,2,4-triazol-3-yl]disulfanyl]-1,2,4-triazole-3-thiol
CID 136997108
2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzhydrylacetamide
CID 2202664
3-(4-bromophenyl)-5-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]disulfanyl]-4-phenyl-1,2,4-triazole
CID 4530857
N-(4-acetamidophenyl)-2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 980289
2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzhydrylpiperazin-1-yl)ethanone
CID 980305
3-(3-bromophenyl)-5-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]disulfanyl]-4-phenyl-1,2,4-triazole
CID 21239944
2-methylsulfanyl-3-phenylimidazol-4-amine
CID 101471357
2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 40655882
2-[[5-amino-4-(3-iodophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64573034
4,6-diamino-5-phenyl-1,3,5-triazin-2-one
CID 71395620
2-[[5-amino-4-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64571776
2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
CID 15879978

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine (CID 138721906) is 5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine is Nc1nnc(SSc2nnc(N)n2-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine?
The InChIKey is VEGKRWVEMOLULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8S2/c17-13-19-21-15(23(13)11-7-3-1-4-8-11)25-26-16-22-20-14(18)24(16)12-9-5-2-6-10-12/h1-10H,(H2,17,19)(H2,18,20).
What are the key properties of 5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine?
5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine has a molecular weight of 382.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 138721906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).