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

C15H20N6O — CID 95590461

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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