5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one

C14H15F2N3O — CID 18717386

IUPAC5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one
SMILESCc1cnc(-n2ncc(C(C)(F)F)c(C)c2=O)c(C)c1
InChIInChI=1S/C14H15F2N3O/c1-8-5-9(2)12(17-6-8)19-13(20)10(3)11(7-18-19)14(4,15)16/h5-7H,1-4H3
InChIKeyZEBTWXIJLIOPRJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.66
Rot. Bonds2

About 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one

5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one (PubChem CID 18717386) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one
PubChem CID18717386
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one
SMILESCc1cnc(-n2ncc(C(C)(F)F)c(C)c2=O)c(C)c1
InChIInChI=1S/C14H15F2N3O/c1-8-5-9(2)12(17-6-8)19-13(20)10(3)11(7-18-19)14(4,15)16/h5-7H,1-4H3
InChIKeyZEBTWXIJLIOPRJ-UHFFFAOYSA-N
XLogP2.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one (CID 18717386) is 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one is Cc1cnc(-n2ncc(C(C)(F)F)c(C)c2=O)c(C)c1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one?
The InChIKey is ZEBTWXIJLIOPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-8-5-9(2)12(17-6-8)19-13(20)10(3)11(7-18-19)14(4,15)16/h5-7H,1-4H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one?
5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one has a molecular weight of 279.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-methylpyridazin-3-one is sourced from PubChem (CID 18717386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).