3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine

C10H13F2N3O2 — CID 164536960

IUPAC3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine
SMILESCC1COCC(c2ccc(OC(F)F)nn2)N1
InChIInChI=1S/C10H13F2N3O2/c1-6-4-16-5-8(13-6)7-2-3-9(15-14-7)17-10(11)12/h2-3,6,8,10,13H,4-5H2,1H3
InChIKeyJPBHSEBOHAWXIH-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.13
Rot. Bonds3

About 3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine

3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine (PubChem CID 164536960) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine.

Molecular Properties

Compound Name3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine
PubChem CID164536960
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine
SMILESCC1COCC(c2ccc(OC(F)F)nn2)N1
InChIInChI=1S/C10H13F2N3O2/c1-6-4-16-5-8(13-6)7-2-3-9(15-14-7)17-10(11)12/h2-3,6,8,10,13H,4-5H2,1H3
InChIKeyJPBHSEBOHAWXIH-UHFFFAOYSA-N
XLogP1.13
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine?
The IUPAC name of 3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine (CID 164536960) is 3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine.
What is the SMILES notation for 3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine?
The canonical SMILES for 3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine is CC1COCC(c2ccc(OC(F)F)nn2)N1.
What is the InChIKey of 3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine?
The InChIKey is JPBHSEBOHAWXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-6-4-16-5-8(13-6)7-2-3-9(15-14-7)17-10(11)12/h2-3,6,8,10,13H,4-5H2,1H3.
What are the key properties of 3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine?
3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine has a molecular weight of 245.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholine is sourced from PubChem (CID 164536960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).