6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C13H10F3N3O2 — CID 56724386

IUPAC6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C13H10F3N3O2/c1-21-11-7-6-10(18-19-11)12(20)17-9-4-2-8(3-5-9)13(14,15)16/h2-7H,1H3,(H,17,20)
InChIKeyYGCROTQPZGPPED-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.76
Rot. Bonds3

About 6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 56724386) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID56724386
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C13H10F3N3O2/c1-21-11-7-6-10(18-19-11)12(20)17-9-4-2-8(3-5-9)13(14,15)16/h2-7H,1H3,(H,17,20)
InChIKeyYGCROTQPZGPPED-UHFFFAOYSA-N
XLogP2.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10023559, Example 67
CID 118903441
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2,2,2-trifluoro-N-(4-(6-methoxypyridazin-3-yl)phenyl)acetamide
CID 7593576
N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
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CID 52417439
N-[2-Chloro-5-(trifluoromethyl)phenyl]-6-ethoxypyridazine-3-carboxamide
CID 71784579
6-methoxy-N-[2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]pyridazine-3-carboxamide
CID 71805073
N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
CID 134800715
4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 134801163
N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
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CID 134802547

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 56724386) is 6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of 6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is YGCROTQPZGPPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-21-11-7-6-10(18-19-11)12(20)17-9-4-2-8(3-5-9)13(14,15)16/h2-7H,1H3,(H,17,20).
What are the key properties of 6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 56724386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).