5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one

C16H19F2N3O — CID 18717391

IUPAC5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one
SMILESCCc1c(C(C)(F)F)cnn(-c2nc(C)c(C)cc2C)c1=O
InChIInChI=1S/C16H19F2N3O/c1-6-12-13(16(5,17)18)8-19-21(15(12)22)14-10(3)7-9(2)11(4)20-14/h7-8H,6H2,1-5H3
InChIKeyJYDRBJBBXFBDHY-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.23
Rot. Bonds3

About 5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one

5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one (PubChem CID 18717391) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one
PubChem CID18717391
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one
SMILESCCc1c(C(C)(F)F)cnn(-c2nc(C)c(C)cc2C)c1=O
InChIInChI=1S/C16H19F2N3O/c1-6-12-13(16(5,17)18)8-19-21(15(12)22)14-10(3)7-9(2)11(4)20-14/h7-8H,6H2,1-5H3
InChIKeyJYDRBJBBXFBDHY-UHFFFAOYSA-N
XLogP3.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.23
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)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one?
The IUPAC name of 5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one (CID 18717391) is 5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one.
What is the SMILES notation for 5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one?
The canonical SMILES for 5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one is CCc1c(C(C)(F)F)cnn(-c2nc(C)c(C)cc2C)c1=O.
What is the InChIKey of 5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one?
The InChIKey is JYDRBJBBXFBDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-6-12-13(16(5,17)18)8-19-21(15(12)22)14-10(3)7-9(2)11(4)20-14/h7-8H,6H2,1-5H3.
What are the key properties of 5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one?
5-(1,1-difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one has a molecular weight of 307.34 g/mol, XLogP of 3.23, 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)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one is sourced from PubChem (CID 18717391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).