6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide

C9H9F3N4O — CID 114159265

IUPAC6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC2(C(F)(F)F)CC2)nn1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)8(3-4-8)14-6-2-1-5(7(13)17)15-16-6/h1-2H,3-4H2,(H2,13,17)(H,14,16)
InChIKeyNWSIMHMSXLSKCC-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.08
Rot. Bonds3

About 6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide

6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide (PubChem CID 114159265) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide
PubChem CID114159265
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC2(C(F)(F)F)CC2)nn1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)8(3-4-8)14-6-2-1-5(7(13)17)15-16-6/h1-2H,3-4H2,(H2,13,17)(H,14,16)
InChIKeyNWSIMHMSXLSKCC-UHFFFAOYSA-N
XLogP1.08
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103724970
6-[(1-aminocyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103354254
2,3-difluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
CID 106214821
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide
CID 113295252
6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 113256808
6-[(1-ethylcyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103741792
1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443595
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 79109187
5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid
CID 106213918
5-amino-2-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
CID 106219376
6-(3-cyclopropylpropylamino)pyridazine-3-carboxamide
CID 115667673
3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-4-carbothioamide
CID 114159717

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide (CID 114159265) is 6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide is NC(=O)c1ccc(NC2(C(F)(F)F)CC2)nn1.
What is the InChIKey of 6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide?
The InChIKey is NWSIMHMSXLSKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)8(3-4-8)14-6-2-1-5(7(13)17)15-16-6/h1-2H,3-4H2,(H2,13,17)(H,14,16).
What are the key properties of 6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide?
6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide has a molecular weight of 246.19 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 114159265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).