5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile

C20H25N5O — CID 133360401

IUPAC5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile
SMILESCCc1nnc(Nc2cccc(CN3CCOCC3)c2)c(C#N)c1CC
InChIInChI=1S/C20H25N5O/c1-3-17-18(13-21)20(24-23-19(17)4-2)22-16-7-5-6-15(12-16)14-25-8-10-26-11-9-25/h5-7,12H,3-4,8-11,14H2,1-2H3,(H,22,24)
InChIKeyKTPNJZBNXYXUPR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.05
Rot. Bonds6

About 5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile

5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile (PubChem CID 133360401) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile
PubChem CID133360401
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile
SMILESCCc1nnc(Nc2cccc(CN3CCOCC3)c2)c(C#N)c1CC
InChIInChI=1S/C20H25N5O/c1-3-17-18(13-21)20(24-23-19(17)4-2)22-16-7-5-6-15(12-16)14-25-8-10-26-11-9-25/h5-7,12H,3-4,8-11,14H2,1-2H3,(H,22,24)
InChIKeyKTPNJZBNXYXUPR-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-diethyl-3-(3-fluoro-4-morpholin-4-ylanilino)pyridazine-4-carbonitrile
CID 133378832
N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide
CID 75379454
5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 133360375
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
N-butyl-3-(morpholin-4-ylmethyl)aniline
CID 174541370
3-[4-(2-cyanopropan-2-yl)anilino]-5,6-diethylpyridazine-4-carbonitrile
CID 133373625
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783
3-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133374126
5-bromo-N-[3-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine
CID 22727949
1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 51096615
3-(4-bromo-2-fluoroanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508420
1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea
CID 4152907

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile (CID 133360401) is 5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile is CCc1nnc(Nc2cccc(CN3CCOCC3)c2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile?
The InChIKey is KTPNJZBNXYXUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-17-18(13-21)20(24-23-19(17)4-2)22-16-7-5-6-15(12-16)14-25-8-10-26-11-9-25/h5-7,12H,3-4,8-11,14H2,1-2H3,(H,22,24).
What are the key properties of 5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile has a molecular weight of 351.45 g/mol, XLogP of 3.05, 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-[3-(morpholin-4-ylmethyl)anilino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133360401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).