5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine

C18H10F3N3O2 — CID 1239237

IUPAC5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine
SMILESO=Nc1c2cc(-c3cccc(OC(F)(F)F)c3)[nH]nc-2c2ccccc12
InChIInChI=1S/C18H10F3N3O2/c19-18(20,21)26-11-5-3-4-10(8-11)15-9-14-16(23-22-15)12-6-1-2-7-13(12)17(14)24-25/h1-9,22H
InChIKeyZWKSOWVUKMPAPM-UHFFFAOYSA-N
MW357.29 g/mol
LogP5.63
Rot. Bonds3

About 5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine

5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine (PubChem CID 1239237) has the molecular formula C18H10F3N3O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine.

Molecular Properties

Compound Name5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine
PubChem CID1239237
Molecular FormulaC18H10F3N3O2
Molecular Weight357.29 g/mol
Exact Mass357.07
IUPAC Name5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine
SMILESO=Nc1c2cc(-c3cccc(OC(F)(F)F)c3)[nH]nc-2c2ccccc12
InChIInChI=1S/C18H10F3N3O2/c19-18(20,21)26-11-5-3-4-10(8-11)15-9-14-16(23-22-15)12-6-1-2-7-13(12)17(14)24-25/h1-9,22H
InChIKeyZWKSOWVUKMPAPM-UHFFFAOYSA-N
XLogP5.63
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.29
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine 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

7-nitro-4-[3-(trifluoromethoxy)phenyl]-2H-phthalazin-1-one
CID 22079268
5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 59363988
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
4-[3-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one
CID 22079228
3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 134365264
3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091648
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 53494818
3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091466
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
7-[3-(trifluoromethoxy)phenyl]-1H-indole
CID 59107903
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337

Frequently Asked Questions

What is the IUPAC name of 5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine?
The IUPAC name of 5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine (CID 1239237) is 5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine.
What is the SMILES notation for 5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine?
The canonical SMILES for 5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine is O=Nc1c2cc(-c3cccc(OC(F)(F)F)c3)[nH]nc-2c2ccccc12.
What is the InChIKey of 5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine?
The InChIKey is ZWKSOWVUKMPAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O2/c19-18(20,21)26-11-5-3-4-10(8-11)15-9-14-16(23-22-15)12-6-1-2-7-13(12)17(14)24-25/h1-9,22H.
What are the key properties of 5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine?
5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine has a molecular weight of 357.29 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-3-[3-(trifluoromethoxy)phenyl]-2H-indeno[1,2-c]pyridazine is sourced from PubChem (CID 1239237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).