5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile

C19H21FN4O — CID 133361167

IUPAC5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCOC(c3ccccc3F)C2)c(C#N)c1CC
InChIInChI=1S/C19H21FN4O/c1-3-13-15(11-21)19(23-22-17(13)4-2)24-9-10-25-18(12-24)14-7-5-6-8-16(14)20/h5-8,18H,3-4,9-10,12H2,1-2H3
InChIKeyPIZBFBCSGVBLOB-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.19
Rot. Bonds4

About 5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile

5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile (PubChem CID 133361167) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile
PubChem CID133361167
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCOC(c3ccccc3F)C2)c(C#N)c1CC
InChIInChI=1S/C19H21FN4O/c1-3-13-15(11-21)19(23-22-17(13)4-2)24-9-10-25-18(12-24)14-7-5-6-8-16(14)20/h5-8,18H,3-4,9-10,12H2,1-2H3
InChIKeyPIZBFBCSGVBLOB-UHFFFAOYSA-N
XLogP3.19
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile (CID 133361167) is 5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCOC(c3ccccc3F)C2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile?
The InChIKey is PIZBFBCSGVBLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-3-13-15(11-21)19(23-22-17(13)4-2)24-9-10-25-18(12-24)14-7-5-6-8-16(14)20/h5-8,18H,3-4,9-10,12H2,1-2H3.
What are the key properties of 5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile has a molecular weight of 340.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[2-(2-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133361167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).