3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile

C19H21ClN4O — CID 133359923

IUPAC3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCOC(c3ccc(Cl)cc3)C2)c(C#N)c1CC
InChIInChI=1S/C19H21ClN4O/c1-3-15-16(11-21)19(23-22-17(15)4-2)24-9-10-25-18(12-24)13-5-7-14(20)8-6-13/h5-8,18H,3-4,9-10,12H2,1-2H3
InChIKeyGEVCTJLXXWYWOD-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.70
Rot. Bonds4

About 3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile

3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 133359923) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID133359923
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCOC(c3ccc(Cl)cc3)C2)c(C#N)c1CC
InChIInChI=1S/C19H21ClN4O/c1-3-15-16(11-21)19(23-22-17(15)4-2)24-9-10-25-18(12-24)13-5-7-14(20)8-6-13/h5-8,18H,3-4,9-10,12H2,1-2H3
InChIKeyGEVCTJLXXWYWOD-UHFFFAOYSA-N
XLogP3.70
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133378940
methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate
CID 133378921
3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80515008
2-(4-chlorophenyl)-4-(3-methoxy-6-methyl-2-pyridinyl)morpholine
CID 146042914
5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 129482170
5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 133360812
5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile
CID 115871295
3-(3,5-dioxopiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80510131
3-[(4-chlorophenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80502090
3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133360239
2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid
CID 116681863

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile (CID 133359923) is 3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(N2CCOC(c3ccc(Cl)cc3)C2)c(C#N)c1CC.
What is the InChIKey of 3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is GEVCTJLXXWYWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-3-15-16(11-21)19(23-22-17(15)4-2)24-9-10-25-18(12-24)13-5-7-14(20)8-6-13/h5-8,18H,3-4,9-10,12H2,1-2H3.
What are the key properties of 3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile?
3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 356.86 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133359923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).