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

C19H21FN4O — CID 133361174

IUPAC5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCOC(c3cccc(F)c3)C2)c(C#N)c1CC
InChIInChI=1S/C19H21FN4O/c1-3-15-16(11-21)19(23-22-17(15)4-2)24-8-9-25-18(12-24)13-6-5-7-14(20)10-13/h5-7,10,18H,3-4,8-9,12H2,1-2H3
InChIKeyGLSPNXIDUKTVQL-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.19
Rot. Bonds4

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

5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile (PubChem CID 133361174) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile
PubChem CID133361174
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCOC(c3cccc(F)c3)C2)c(C#N)c1CC
InChIInChI=1S/C19H21FN4O/c1-3-15-16(11-21)19(23-22-17(15)4-2)24-8-9-25-18(12-24)13-6-5-7-14(20)10-13/h5-7,10,18H,3-4,8-9,12H2,1-2H3
InChIKeyGLSPNXIDUKTVQL-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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Related Compounds

3-[[2-(Methoxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 34002514
3-[2-(4-Bromophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 47077214
3-[[2-(2-Fluorophenyl)-2-hydroxyethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 45881032
6-[Methyl(3-phenylmethoxypropyl)amino]pyridazine-3-carbonitrile
CID 100685733
3-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine
CID 71083364
2-(4-Methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile
CID 42624820
3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535843
3-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535844
3-[2-(2-Fluorophenoxy)ethyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31536858
5,6-Dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]pyridazine-4-carbonitrile
CID 36628538
3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 36726887
3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 36726888

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile (CID 133361174) is 5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCOC(c3cccc(F)c3)C2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile?
The InChIKey is GLSPNXIDUKTVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-3-15-16(11-21)19(23-22-17(15)4-2)24-8-9-25-18(12-24)13-6-5-7-14(20)10-13/h5-7,10,18H,3-4,8-9,12H2,1-2H3.
What are the key properties of 5,6-diethyl-3-[2-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[2-(3-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-(3-fluorophenyl)morpholin-4-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133361174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).