4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one

C8H11F2N3O — CID 164653012

IUPAC4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one
SMILESCN(CC(C)(F)F)c1cn[nH]c(=O)c1
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)5-13(2)6-3-7(14)12-11-4-6/h3-4H,5H2,1-2H3,(H,12,14)
InChIKeyRUNPRAIKJLKROB-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.86
Rot. Bonds3

About 4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one

4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one (PubChem CID 164653012) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one
PubChem CID164653012
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one
SMILESCN(CC(C)(F)F)c1cn[nH]c(=O)c1
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)5-13(2)6-3-7(14)12-11-4-6/h3-4H,5H2,1-2H3,(H,12,14)
InChIKeyRUNPRAIKJLKROB-UHFFFAOYSA-N
XLogP0.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one
CID 28065109
4-(prop-1-en-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175932253
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)-3(2H)-pyridazinone
CID 28871573
4-[butyl(methyl)amino]-3,5-difluoro-1H-pyridazin-6-one
CID 44221602
4-(diethylamino)-3,5-difluoro-1H-pyridazin-6-one
CID 44221604
3,5-difluoro-4-[methyl(prop-2-enyl)amino]-1H-pyridazin-6-one
CID 44221807
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one
CID 103366653
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 103366657
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one
CID 103366658
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103366659
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyridazin-6-one
CID 105936161
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one
CID 106219695

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one (CID 164653012) is 4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one is CN(CC(C)(F)F)c1cn[nH]c(=O)c1.
What is the InChIKey of 4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one?
The InChIKey is RUNPRAIKJLKROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-8(9,10)5-13(2)6-3-7(14)12-11-4-6/h3-4H,5H2,1-2H3,(H,12,14).
What are the key properties of 4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one?
4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one has a molecular weight of 203.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoropropyl(methyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 164653012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).