5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile

C16H25N5O — CID 31537587

IUPAC5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@@H](C(C)C)N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C16H25N5O/c1-11(2)15(21-5-7-22-8-6-21)10-18-16-14(9-17)12(3)13(4)19-20-16/h11,15H,5-8,10H2,1-4H3,(H,18,20)/t15-/m0/s1
InChIKeyUDDZOEYLPOASEG-HNNXBMFYSA-N
MW303.41 g/mol
LogP1.73
Rot. Bonds5

About 5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile (PubChem CID 31537587) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile
PubChem CID31537587
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@@H](C(C)C)N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C16H25N5O/c1-11(2)15(21-5-7-22-8-6-21)10-18-16-14(9-17)12(3)13(4)19-20-16/h11,15H,5-8,10H2,1-4H3,(H,18,20)/t15-/m0/s1
InChIKeyUDDZOEYLPOASEG-HNNXBMFYSA-N
XLogP1.73
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile
CID 36724536
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
CID 112726802
3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 52508439
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585
5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile
CID 51079462
3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine
CID 42892067
2-[[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]methyl]-3-methylbutanoic acid
CID 80508263
5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 56821491
5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 62639917
3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 104828361
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile (CID 31537587) is 5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile is Cc1nnc(NC[C@@H](C(C)C)N2CCOCC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile?
The InChIKey is UDDZOEYLPOASEG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11(2)15(21-5-7-22-8-6-21)10-18-16-14(9-17)12(3)13(4)19-20-16/h11,15H,5-8,10H2,1-4H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile has a molecular weight of 303.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 31537587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).