N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C13H14N6O2S — CID 126833886

IUPACN-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nnc2nc[nH]n12)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H14N6O2S/c20-22(21,18-13-17-16-12-14-8-15-19(12)13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,17,18)(H,14,15,16)
InChIKeyYRIIMOVJZNNNCN-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.13
Rot. Bonds3

About N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 126833886) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID126833886
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC NameN-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nnc2nc[nH]n12)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H14N6O2S/c20-22(21,18-13-17-16-12-14-8-15-19(12)13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,17,18)(H,14,15,16)
InChIKeyYRIIMOVJZNNNCN-UHFFFAOYSA-N
XLogP1.13
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide 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
N-(5-amino-1h-1,2,4-triazol-3-yl)naphthalene-2-sulfonamide
CID 12113225
1-(2-naphthylsulfonyl)-1H-1,2,4-triazole
CID 3505425
N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)naphthalene-2-sulfonamide
CID 2078762
4-phenyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 72107785
N-(1H-1,2,4-triazol-5-yl)naphthalene-1-sulfonamide
CID 3836980
3,4-dimethyl-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide
CID 19683356
4-methyl-N-(1H-1,2,4-triazol-3-yl)-1-naphthalenesulfonamide
CID 24284051
4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 35539697
N-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35539705
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348

Frequently Asked Questions

What is the IUPAC name of N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 126833886) is N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1nnc2nc[nH]n12)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is YRIIMOVJZNNNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S/c20-22(21,18-13-17-16-12-14-8-15-19(12)13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,17,18)(H,14,15,16).
What are the key properties of N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 318.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 126833886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).