5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one

C10H12F5N3O — CID 28871573

IUPAC5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
SMILESCN(C)c1cnn(CCC(F)(F)C(F)(F)F)c(=O)c1
InChIInChI=1S/C10H12F5N3O/c1-17(2)7-5-8(19)18(16-6-7)4-3-9(11,12)10(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyILCSQDIJZFJHPN-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.90
Rot. Bonds4

About 5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one

5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one (PubChem CID 28871573) has the molecular formula C10H12F5N3O and a molecular weight of 285.22 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
PubChem CID28871573
Molecular FormulaC10H12F5N3O
Molecular Weight285.22 g/mol
Exact Mass285.09
IUPAC Name5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
SMILESCN(C)c1cnn(CCC(F)(F)C(F)(F)F)c(=O)c1
InChIInChI=1S/C10H12F5N3O/c1-17(2)7-5-8(19)18(16-6-7)4-3-9(11,12)10(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyILCSQDIJZFJHPN-UHFFFAOYSA-N
XLogP1.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one
CID 114397466
2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394227
2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114393487
potassium 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746469
5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 114395499
2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one
CID 114393508
ethyl 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]hexanoate
CID 114393840
5-(dimethylamino)-2-[(3-methyl-4-pyridinyl)methyl]pyridazin-3-one
CID 29088974

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one (CID 28871573) is 5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one is CN(C)c1cnn(CCC(F)(F)C(F)(F)F)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one?
The InChIKey is ILCSQDIJZFJHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5N3O/c1-17(2)7-5-8(19)18(16-6-7)4-3-9(11,12)10(13,14)15/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one?
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one has a molecular weight of 285.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one is sourced from PubChem (CID 28871573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).