2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane

C15H20FN3O — CID 171826659

IUPAC2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane
SMILESCC.CNc1c(C)nnc(-c2ccc(F)cc2O)c1C
InChIInChI=1S/C13H14FN3O.C2H6/c1-7-12(15-3)8(2)16-17-13(7)10-5-4-9(14)6-11(10)18;1-2/h4-6,18H,1-3H3,(H,15,17);1-2H3
InChIKeyMGJSUACCHGBWEZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.67
Rot. Bonds2

About 2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane

2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane (PubChem CID 171826659) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane.

Molecular Properties

Compound Name2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane
PubChem CID171826659
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane
SMILESCC.CNc1c(C)nnc(-c2ccc(F)cc2O)c1C
InChIInChI=1S/C13H14FN3O.C2H6/c1-7-12(15-3)8(2)16-17-13(7)10-5-4-9(14)6-11(10)18;1-2/h4-6,18H,1-3H3,(H,15,17);1-2H3
InChIKeyMGJSUACCHGBWEZ-UHFFFAOYSA-N
XLogP3.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane?
The IUPAC name of 2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane (CID 171826659) is 2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane.
What is the SMILES notation for 2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane?
The canonical SMILES for 2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane is CC.CNc1c(C)nnc(-c2ccc(F)cc2O)c1C.
What is the InChIKey of 2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane?
The InChIKey is MGJSUACCHGBWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O.C2H6/c1-7-12(15-3)8(2)16-17-13(7)10-5-4-9(14)6-11(10)18;1-2/h4-6,18H,1-3H3,(H,15,17);1-2H3.
What are the key properties of 2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane?
2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane has a molecular weight of 277.34 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-5-(methylamino)pyridazin-3-yl]-5-fluorophenol;ethane is sourced from PubChem (CID 171826659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).