5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile

C15H22N4 — CID 103753749

IUPAC5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCC2(C)CCCCC2)c(C#N)c1C
InChIInChI=1S/C15H22N4/c1-11-12(2)18-19-14(13(11)9-16)17-10-15(3)7-5-4-6-8-15/h4-8,10H2,1-3H3,(H,17,19)
InChIKeyIFKJOABWELOZEW-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.35
Rot. Bonds3

About 5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 103753749) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
PubChem CID103753749
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCC2(C)CCCCC2)c(C#N)c1C
InChIInChI=1S/C15H22N4/c1-11-12(2)18-19-14(13(11)9-16)17-10-15(3)7-5-4-6-8-15/h4-8,10H2,1-3H3,(H,17,19)
InChIKeyIFKJOABWELOZEW-UHFFFAOYSA-N
XLogP3.35
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile (CID 103753749) is 5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile is Cc1nnc(NCC2(C)CCCCC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is IFKJOABWELOZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-12(2)18-19-14(13(11)9-16)17-10-15(3)7-5-4-6-8-15/h4-8,10H2,1-3H3,(H,17,19).
What are the key properties of 5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 103753749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).