6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide

C18H12F3N3O2 — CID 1489974

IUPAC6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)14-11-15(25)24(13-9-5-2-6-10-13)23-16(14)17(26)22-12-7-3-1-4-8-12/h1-11H,(H,22,26)
InChIKeyYYTVOLJZTNAIAF-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.50
Rot. Bonds3

About 6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide

6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide (PubChem CID 1489974) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide
PubChem CID1489974
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)14-11-15(25)24(13-9-5-2-6-10-13)23-16(14)17(26)22-12-7-3-1-4-8-12/h1-11H,(H,22,26)
InChIKeyYYTVOLJZTNAIAF-UHFFFAOYSA-N
XLogP3.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide (CID 1489974) is 6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide is O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F.
What is the InChIKey of 6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide?
The InChIKey is YYTVOLJZTNAIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-18(20,21)14-11-15(25)24(13-9-5-2-6-10-13)23-16(14)17(26)22-12-7-3-1-4-8-12/h1-11H,(H,22,26).
What are the key properties of 6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide?
6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N,1-diphenyl-4-(trifluoromethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 1489974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).