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

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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).