6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide

C12H15F3N4O — CID 133333827

IUPAC6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC2CCCC(C(F)(F)F)C2)nn1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)7-2-1-3-8(6-7)17-10-5-4-9(11(16)20)18-19-10/h4-5,7-8H,1-3,6H2,(H2,16,20)(H,17,19)
InChIKeyCNYYKUURKKRWEX-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.11
Rot. Bonds3

About 6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide

6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide (PubChem CID 133333827) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide
PubChem CID133333827
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC2CCCC(C(F)(F)F)C2)nn1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)7-2-1-3-8(6-7)17-10-5-4-9(11(16)20)18-19-10/h4-5,7-8H,1-3,6H2,(H2,16,20)(H,17,19)
InChIKeyCNYYKUURKKRWEX-UHFFFAOYSA-N
XLogP2.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methoxycyclohexyl)amino]pyridazine-3-carboxamide
CID 133399457
2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 64759606
methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate
CID 133489109
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133333824
6-[(2,3-dimethylcyclohexyl)amino]pyridazine-3-carboxamide
CID 79771125
3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489106
4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol
CID 64758814
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
CID 79099687
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide (CID 133333827) is 6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide is NC(=O)c1ccc(NC2CCCC(C(F)(F)F)C2)nn1.
What is the InChIKey of 6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide?
The InChIKey is CNYYKUURKKRWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)7-2-1-3-8(6-7)17-10-5-4-9(11(16)20)18-19-10/h4-5,7-8H,1-3,6H2,(H2,16,20)(H,17,19).
What are the key properties of 6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide?
6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 133333827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).