N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C12H8F3N3O — CID 5297225

IUPACN-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccnn1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)8-3-1-4-9(7-8)17-11(19)10-5-2-6-16-18-10/h1-7H,(H,17,19)
InChIKeyVKOQRJMVCYMJCP-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.75
Rot. Bonds2

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

N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 5297225) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID5297225
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC NameN-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccnn1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)8-3-1-4-9(7-8)17-11(19)10-5-2-6-16-18-10/h1-7H,(H,17,19)
InChIKeyVKOQRJMVCYMJCP-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 5297225) is N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cccnn1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is VKOQRJMVCYMJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c13-12(14,15)8-3-1-4-9(7-8)17-11(19)10-5-2-6-16-18-10/h1-7H,(H,17,19).
What are the key properties of N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 267.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 5297225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).