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

C19H21ClN4O — CID 133378940

IUPAC3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCOC(c3ccccc3Cl)C2)c(C#N)c1CC
InChIInChI=1S/C19H21ClN4O/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
InChIKeyBHZHPCVVQUMTKS-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.70
Rot. Bonds4

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

3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 133378940) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID133378940
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCOC(c3ccccc3Cl)C2)c(C#N)c1CC
InChIInChI=1S/C19H21ClN4O/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
InChIKeyBHZHPCVVQUMTKS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133359923
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-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133360239
3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133360096
3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373838
5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 133360812
5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile
CID 133361030
5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 133360044
5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133373187
5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 129482170
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile (CID 133378940) is 3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(N2CCOC(c3ccccc3Cl)C2)c(C#N)c1CC.
What is the InChIKey of 3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is BHZHPCVVQUMTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/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 3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile?
3-[2-(2-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-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133378940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).