N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

C12H8F3N3O2 — CID 23633023

IUPACN-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnn1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)20-9-5-3-8(4-6-9)17-11(19)10-2-1-7-16-18-10/h1-7H,(H,17,19)
InChIKeyJFLZYIYPMIVYBF-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.63
Rot. Bonds3

About N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (PubChem CID 23633023) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
PubChem CID23633023
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC NameN-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnn1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)20-9-5-3-8(4-6-9)17-11(19)10-2-1-7-16-18-10/h1-7H,(H,17,19)
InChIKeyJFLZYIYPMIVYBF-UHFFFAOYSA-N
XLogP2.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 59672975
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 723660
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 90505988

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (CID 23633023) is N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnn1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The InChIKey is JFLZYIYPMIVYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)20-9-5-3-8(4-6-9)17-11(19)10-2-1-7-16-18-10/h1-7H,(H,17,19).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide has a molecular weight of 283.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 23633023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).