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

C16H14N8S2 — CID 13361098

IUPAC3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine
SMILESNn1c(SSc2nnc(-c3ccccc3)n2N)nnc1-c1ccccc1
InChIInChI=1S/C16H14N8S2/c17-23-13(11-7-3-1-4-8-11)19-21-15(23)25-26-16-22-20-14(24(16)18)12-9-5-2-6-10-12/h1-10H,17-18H2
InChIKeyWQRYNUUSKOAJNC-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.43
Rot. Bonds5

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

3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine (PubChem CID 13361098) has the molecular formula C16H14N8S2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine
PubChem CID13361098
Molecular FormulaC16H14N8S2
Molecular Weight382.48 g/mol
Exact Mass382.08
IUPAC Name3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine
SMILESNn1c(SSc2nnc(-c3ccccc3)n2N)nnc1-c1ccccc1
InChIInChI=1S/C16H14N8S2/c17-23-13(11-7-3-1-4-8-11)19-21-15(23)25-26-16-22-20-14(24(16)18)12-9-5-2-6-10-12/h1-10H,17-18H2
InChIKeyWQRYNUUSKOAJNC-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine (CID 13361098) is 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine is Nn1c(SSc2nnc(-c3ccccc3)n2N)nnc1-c1ccccc1.
What is the InChIKey of 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine?
The InChIKey is WQRYNUUSKOAJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8S2/c17-23-13(11-7-3-1-4-8-11)19-21-15(23)25-26-16-22-20-14(24(16)18)12-9-5-2-6-10-12/h1-10H,17-18H2.
What are the key properties of 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine?
3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine has a molecular weight of 382.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)disulfanyl]-5-phenyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 13361098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).