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

C15H17F2N3O — CID 18717384

IUPAC5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one
SMILESCCc1c(C(C)(F)F)cnn(-c2ncc(C)cc2C)c1=O
InChIInChI=1S/C15H17F2N3O/c1-5-11-12(15(4,16)17)8-19-20(14(11)21)13-10(3)6-9(2)7-18-13/h6-8H,5H2,1-4H3
InChIKeyZLDPERDWJKRQLL-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.92
Rot. Bonds3

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

5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one (PubChem CID 18717384) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one
PubChem CID18717384
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one
SMILESCCc1c(C(C)(F)F)cnn(-c2ncc(C)cc2C)c1=O
InChIInChI=1S/C15H17F2N3O/c1-5-11-12(15(4,16)17)8-19-20(14(11)21)13-10(3)6-9(2)7-18-13/h6-8H,5H2,1-4H3
InChIKeyZLDPERDWJKRQLL-UHFFFAOYSA-N
XLogP2.92
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.92
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-ethylpyridazin-3-one?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one (CID 18717384) is 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one is CCc1c(C(C)(F)F)cnn(-c2ncc(C)cc2C)c1=O.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one?
The InChIKey is ZLDPERDWJKRQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-5-11-12(15(4,16)17)8-19-20(14(11)21)13-10(3)6-9(2)7-18-13/h6-8H,5H2,1-4H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one?
5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)-4-ethylpyridazin-3-one has a molecular weight of 293.32 g/mol, XLogP of 2.92, 3 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-ethylpyridazin-3-one is sourced from PubChem (CID 18717384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).