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

C10H13F2N3O — CID 170791647

IUPAC4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one
SMILESNc1ccnn(C2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C10H13F2N3O/c11-10(12)4-1-7(2-5-10)15-9(16)8(13)3-6-14-15/h3,6-7H,1-2,4-5,13H2
InChIKeyNOGKIQWJFWFPAA-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.58
Rot. Bonds1

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

4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one (PubChem CID 170791647) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one
PubChem CID170791647
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one
SMILESNc1ccnn(C2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C10H13F2N3O/c11-10(12)4-1-7(2-5-10)15-9(16)8(13)3-6-14-15/h3,6-7H,1-2,4-5,13H2
InChIKeyNOGKIQWJFWFPAA-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

2-(4,4-Difluorocyclohexyl)pyridazin-3-one
CID 175957551
2-Pentyl-4-amino-3(2h)-pyridazinone
CID 129708493

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The IUPAC name of 4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one (CID 170791647) is 4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one.
What is the SMILES notation for 4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The canonical SMILES for 4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one is Nc1ccnn(C2CCC(F)(F)CC2)c1=O.
What is the InChIKey of 4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The InChIKey is NOGKIQWJFWFPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-10(12)4-1-7(2-5-10)15-9(16)8(13)3-6-14-15/h3,6-7H,1-2,4-5,13H2.
What are the key properties of 4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
4-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 4-amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one is sourced from PubChem (CID 170791647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).