5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole

C12H9N3S2 — CID 66561832

IUPAC5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole
SMILESc1ccc2cc(SSc3ncn[nH]3)ccc2c1
InChIInChI=1S/C12H9N3S2/c1-2-4-10-7-11(6-5-9(10)3-1)16-17-12-13-8-14-15-12/h1-8H,(H,13,14,15)
InChIKeyOFAZDHXMPCJGCA-UHFFFAOYSA-N
MW259.36 g/mol
LogP3.76
Rot. Bonds3

About 5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole

5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole (PubChem CID 66561832) has the molecular formula C12H9N3S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole
PubChem CID66561832
Molecular FormulaC12H9N3S2
Molecular Weight259.36 g/mol
Exact Mass259.02
IUPAC Name5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole
SMILESc1ccc2cc(SSc3ncn[nH]3)ccc2c1
InChIInChI=1S/C12H9N3S2/c1-2-4-10-7-11(6-5-9(10)3-1)16-17-12-13-8-14-15-12/h1-8H,(H,13,14,15)
InChIKeyOFAZDHXMPCJGCA-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(naphthalen-2-yldisulfanyl)-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

N-(4H-1,2,4-triazol-4-yl)-2-naphthalenesulfonamide
CID 1477519
N-(1H-1,2,4-triazol-5-yl)naphthalene-2-sulfonamide
CID 965236
5-[(4-methylphenyl)disulfanyl]-1H-1,2,4-triazole
CID 66561754
5-[(1-naphthylmethyl)sulfanyl]-1H-1,2,4-triazole
CID 719016
5-[(2-methylphenyl)disulfanyl]-1H-1,2,4-triazole
CID 66561831
5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1H-1,2,4-triazole
CID 46483910
5-[(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)sulfanyl]-1H-1,2,4-triazole
CID 139842059
5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole
CID 144779140
naphthalene;1H-1,2,4-triazole
CID 159174280
N-(4-phenylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine
CID 177246507
5-(1-naphthalen-1-ylethylsulfanyl)-1H-1,2,4-triazole
CID 9856418
N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35539705

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole (CID 66561832) is 5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole is c1ccc2cc(SSc3ncn[nH]3)ccc2c1.
What is the InChIKey of 5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole?
The InChIKey is OFAZDHXMPCJGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S2/c1-2-4-10-7-11(6-5-9(10)3-1)16-17-12-13-8-14-15-12/h1-8H,(H,13,14,15).
What are the key properties of 5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole?
5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole has a molecular weight of 259.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole is sourced from PubChem (CID 66561832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).