5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile

C20H25N5O — CID 133360375

IUPAC5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2ccccc2N2CCOCC2)c(C#N)c1CC
InChIInChI=1S/C20H25N5O/c1-3-16-17(13-21)20(24-23-18(16)4-2)22-14-15-7-5-6-8-19(15)25-9-11-26-12-10-25/h5-8H,3-4,9-12,14H2,1-2H3,(H,22,24)
InChIKeyCNHWJCWAPFZBEU-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.92
Rot. Bonds6

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

5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 133360375) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
PubChem CID133360375
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2ccccc2N2CCOCC2)c(C#N)c1CC
InChIInChI=1S/C20H25N5O/c1-3-16-17(13-21)20(24-23-18(16)4-2)22-14-15-7-5-6-8-19(15)25-9-11-26-12-10-25/h5-8H,3-4,9-12,14H2,1-2H3,(H,22,24)
InChIKeyCNHWJCWAPFZBEU-UHFFFAOYSA-N
XLogP2.92
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 56821491
3-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133374126
5,6-diethyl-3-(3-fluoro-4-morpholin-4-ylanilino)pyridazine-4-carbonitrile
CID 133378832
5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile
CID 133359909
5,6-diethyl-3-[(2-hydroxy-3-methoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 133361154
5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile
CID 80509551
5,6-diethyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylamino]pyridazine-4-carbonitrile
CID 91644474
5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 133374296
5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile
CID 133360401
6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 56821492
3-[(4-chlorophenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80502090
5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile
CID 103757119

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile (CID 133360375) is 5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile is CCc1nnc(NCc2ccccc2N2CCOCC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is CNHWJCWAPFZBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-16-17(13-21)20(24-23-18(16)4-2)22-14-15-7-5-6-8-19(15)25-9-11-26-12-10-25/h5-8H,3-4,9-12,14H2,1-2H3,(H,22,24).
What are the key properties of 5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 351.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133360375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).