N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine

C10H13F2N3O — CID 163383247

IUPACN-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine
SMILESFC(F)Oc1ccc(CNC2CCC2)nn1
InChIInChI=1S/C10H13F2N3O/c11-10(12)16-9-5-4-8(14-15-9)6-13-7-2-1-3-7/h4-5,7,10,13H,1-3,6H2
InChIKeyIESBQPXTWUEPGA-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.72
Rot. Bonds5

About N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine

N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine (PubChem CID 163383247) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine
PubChem CID163383247
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC NameN-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine
SMILESFC(F)Oc1ccc(CNC2CCC2)nn1
InChIInChI=1S/C10H13F2N3O/c11-10(12)16-9-5-4-8(14-15-9)6-13-7-2-1-3-7/h4-5,7,10,13H,1-3,6H2
InChIKeyIESBQPXTWUEPGA-UHFFFAOYSA-N
XLogP1.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-Methoxypyridazin-3-yl)methanamine
CID 62292461
((6-Methoxypyridazin-3-yl)methyl)(methyl)amine
CID 62292086
(6-Methoxypyridazin-3-yl)methanamine dihydrochloride
CID 121552977
[6-(2,2,2-Trifluoroethoxy)pyridazin-3-yl]methanamine dihydrochloride
CID 122156807
3-Piperidin-4-yloxy-6-(trifluoromethyl)pyridazine
CID 81837468
N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine
CID 163382654
1-cyclopropyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]methanamine
CID 163382774
1-cyclopropyl-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]methanamine
CID 163383031
(3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine
CID 164536873
(3R)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholine
CID 164536940
(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine
CID 164536947
3-[6-(Difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine
CID 164536960

Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine?
The IUPAC name of N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine (CID 163383247) is N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine?
The canonical SMILES for N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine is FC(F)Oc1ccc(CNC2CCC2)nn1.
What is the InChIKey of N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine?
The InChIKey is IESBQPXTWUEPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-10(12)16-9-5-4-8(14-15-9)6-13-7-2-1-3-7/h4-5,7,10,13H,1-3,6H2.
What are the key properties of N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine?
N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine has a molecular weight of 229.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]cyclobutanamine is sourced from PubChem (CID 163383247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).