5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile

C15H20N6O — CID 95590461

IUPAC5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCC[C@@H](N3CCNC3=O)C2)c(C#N)c1C
InChIInChI=1S/C15H20N6O/c1-10-11(2)18-19-14(13(10)8-16)20-6-3-4-12(9-20)21-7-5-17-15(21)22/h12H,3-7,9H2,1-2H3,(H,17,22)/t12-/m1/s1
InChIKeySIUPBGQXUUVSKG-GFCCVEGCSA-N
MW300.37 g/mol
LogP0.96
Rot. Bonds2

About 5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 95590461) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile
PubChem CID95590461
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCC[C@@H](N3CCNC3=O)C2)c(C#N)c1C
InChIInChI=1S/C15H20N6O/c1-10-11(2)18-19-14(13(10)8-16)20-6-3-4-12(9-20)21-7-5-17-15(21)22/h12H,3-7,9H2,1-2H3,(H,17,22)/t12-/m1/s1
InChIKeySIUPBGQXUUVSKG-GFCCVEGCSA-N
XLogP0.96
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile with MolForge

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Related Compounds

3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 63091576
2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 47079116
[(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
CID 95623005
methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444578
5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95766144
3-(4-formylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 80516292
3-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 124882909
5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile
CID 96547785
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 103533404
5,6-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 36615863
1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
CID 86808998
5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 31535401

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile (CID 95590461) is 5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile is Cc1nnc(N2CCC[C@@H](N3CCNC3=O)C2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is SIUPBGQXUUVSKG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-11(2)18-19-14(13(10)8-16)20-6-3-4-12(9-20)21-7-5-17-15(21)22/h12H,3-7,9H2,1-2H3,(H,17,22)/t12-/m1/s1.
What are the key properties of 5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 300.37 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 95590461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).