1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

C13H10F3N3O3 — CID 8961411

IUPAC1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C13H10F3N3O3/c1-19-11(20)7-6-10(18-19)12(21)17-8-2-4-9(5-3-8)22-13(14,15)16/h2-7H,1H3,(H,17,21)
InChIKeyUUGMOFPFANMJHX-UHFFFAOYSA-N
MW313.24 g/mol
LogP1.93
Rot. Bonds3

About 1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (PubChem CID 8961411) has the molecular formula C13H10F3N3O3 and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
PubChem CID8961411
Molecular FormulaC13H10F3N3O3
Molecular Weight313.24 g/mol
Exact Mass313.07
IUPAC Name1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C13H10F3N3O3/c1-19-11(20)7-6-10(18-19)12(21)17-8-2-4-9(5-3-8)22-13(14,15)16/h2-7H,1H3,(H,17,21)
InChIKeyUUGMOFPFANMJHX-UHFFFAOYSA-N
XLogP1.93
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (CID 8961411) is 1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The InChIKey is UUGMOFPFANMJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3/c1-19-11(20)7-6-10(18-19)12(21)17-8-2-4-9(5-3-8)22-13(14,15)16/h2-7H,1H3,(H,17,21).
What are the key properties of 1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 8961411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).