6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one

C10H13F2N3O — CID 170791203

IUPAC6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one
SMILESNc1ccc(=O)n(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H13F2N3O/c11-10(12)5-3-7(4-6-10)15-9(16)2-1-8(13)14-15/h1-2,7H,3-6H2,(H2,13,14)
InChIKeyXVMLGBUKLVBFFZ-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.58
Rot. Bonds1

About 6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one

6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one (PubChem CID 170791203) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one
PubChem CID170791203
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one
SMILESNc1ccc(=O)n(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H13F2N3O/c11-10(12)5-3-7(4-6-10)15-9(16)2-1-8(13)14-15/h1-2,7H,3-6H2,(H2,13,14)
InChIKeyXVMLGBUKLVBFFZ-UHFFFAOYSA-N
XLogP1.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one
CID 169238542
6-Chloro-2-(4,4-difluorocyclohexyl)pyridazin-3-one
CID 170791343
2-(4,4-Difluorocyclohexyl)pyridazin-3-one
CID 175957551
2-(4,4-Difluorocyclohexyl)-6-iodopyridazin-3-one
CID 176078413
(1-Cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium
CID 143705890
6-Amino-2-hexylpyridazin-3-one
CID 116788153
6-Amino-2-pentylpyridazin-3-one
CID 116788302

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one (CID 170791203) is 6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one is Nc1ccc(=O)n(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The InChIKey is XVMLGBUKLVBFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-10(12)5-3-7(4-6-10)15-9(16)2-1-8(13)14-15/h1-2,7H,3-6H2,(H2,13,14).
What are the key properties of 6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one has a molecular weight of 229.23 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one is sourced from PubChem (CID 170791203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).