6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide

C13H11F3N4O — CID 79109187

IUPAC6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)9-4-2-1-3-8(9)7-18-11-6-5-10(12(17)21)19-20-11/h1-6H,7H2,(H2,17,21)(H,18,20)
InChIKeyHTYFMBHRSBUOQJ-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.21
Rot. Bonds4

About 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide

6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide (PubChem CID 79109187) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
PubChem CID79109187
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)9-4-2-1-3-8(9)7-18-11-6-5-10(12(17)21)19-20-11/h1-6H,7H2,(H2,17,21)(H,18,20)
InChIKeyHTYFMBHRSBUOQJ-UHFFFAOYSA-N
XLogP2.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
CID 62879966
3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide
CID 28650471
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbothioamide
CID 62881671
2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenol
CID 115875586
6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 79098714
6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridazine-3-carboxamide
CID 133477298
6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide
CID 133449091
6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide
CID 133379878
3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 103468304
2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carbothioamide
CID 107547347

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide (CID 79109187) is 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide is NC(=O)c1ccc(NCc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide?
The InChIKey is HTYFMBHRSBUOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-13(15,16)9-4-2-1-3-8(9)7-18-11-6-5-10(12(17)21)19-20-11/h1-6H,7H2,(H2,17,21)(H,18,20).
What are the key properties of 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide?
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 79109187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).