2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide

C22H18N6O3S — CID 55348780

IUPAC2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide
SMILESO=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C22H18N6O3S/c29-20(24-23-18-13-7-8-14-19(18)28(30)31)15-32-22-26-25-21(16-9-3-1-4-10-16)27(22)17-11-5-2-6-12-17/h1-14,23H,15H2,(H,24,29)
InChIKeyWUZGFJOARWWZJK-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.08
Rot. Bonds8

About 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide

2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide (PubChem CID 55348780) has the molecular formula C22H18N6O3S and a molecular weight of 446.49 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide
PubChem CID55348780
Molecular FormulaC22H18N6O3S
Molecular Weight446.49 g/mol
Exact Mass446.12
IUPAC Name2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide
SMILESO=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C22H18N6O3S/c29-20(24-23-18-13-7-8-14-19(18)28(30)31)15-32-22-26-25-21(16-9-3-1-4-10-16)27(22)17-11-5-2-6-12-17/h1-14,23H,15H2,(H,24,29)
InChIKeyWUZGFJOARWWZJK-UHFFFAOYSA-N
XLogP4.08
TPSA114.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide 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

2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(3-oxoinden-1-yl)acetohydrazide
CID 2358865
N-(4-chloro-2-nitrophenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112779855
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
CID 3137074
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 2227865
N-(2-cyanophenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2394618
2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 41409374
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1023204
N-(4-methyl-3-nitrophenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3135824
N-(4-fluoro-3-nitrophenyl)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41282069
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 6887922
N-(2-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7169155
methyl 2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 1129172

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide?
The IUPAC name of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide (CID 55348780) is 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide.
What is the SMILES notation for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide?
The canonical SMILES for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide is O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide?
The InChIKey is WUZGFJOARWWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3S/c29-20(24-23-18-13-7-8-14-19(18)28(30)31)15-32-22-26-25-21(16-9-3-1-4-10-16)27(22)17-11-5-2-6-12-17/h1-14,23H,15H2,(H,24,29).
What are the key properties of 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide?
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide has a molecular weight of 446.49 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N'-(2-nitrophenyl)acetohydrazide is sourced from PubChem (CID 55348780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).