3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile

C18H19FN4O — CID 133330515

IUPAC3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CC(C)OC(c3ccc(F)cc3)C2)c(C#N)c1C
InChIInChI=1S/C18H19FN4O/c1-11-9-23(18-16(8-20)12(2)13(3)21-22-18)10-17(24-11)14-4-6-15(19)7-5-14/h4-7,11,17H,9-10H2,1-3H3
InChIKeyOULWFRNCWNKQNY-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.07
Rot. Bonds2

About 3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile

3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 133330515) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID133330515
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CC(C)OC(c3ccc(F)cc3)C2)c(C#N)c1C
InChIInChI=1S/C18H19FN4O/c1-11-9-23(18-16(8-20)12(2)13(3)21-22-18)10-17(24-11)14-4-6-15(19)7-5-14/h4-7,11,17H,9-10H2,1-3H3
InChIKeyOULWFRNCWNKQNY-UHFFFAOYSA-N
XLogP3.07
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile (CID 133330515) is 3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N2CC(C)OC(c3ccc(F)cc3)C2)c(C#N)c1C.
What is the InChIKey of 3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is OULWFRNCWNKQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-11-9-23(18-16(8-20)12(2)13(3)21-22-18)10-17(24-11)14-4-6-15(19)7-5-14/h4-7,11,17H,9-10H2,1-3H3.
What are the key properties of 3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 326.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133330515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).