3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile

C13H18N4 — CID 114130548

IUPAC3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
SMILESCC1CCCC(CNc2nnccc2C#N)C1
InChIInChI=1S/C13H18N4/c1-10-3-2-4-11(7-10)9-15-13-12(8-14)5-6-16-17-13/h5-6,10-11H,2-4,7,9H2,1H3,(H,15,17)
InChIKeyMEQFELFYUYZJPZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.59
Rot. Bonds3

About 3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile

3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 114130548) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
PubChem CID114130548
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
SMILESCC1CCCC(CNc2nnccc2C#N)C1
InChIInChI=1S/C13H18N4/c1-10-3-2-4-11(7-10)9-15-13-12(8-14)5-6-16-17-13/h5-6,10-11H,2-4,7,9H2,1H3,(H,15,17)
InChIKeyMEQFELFYUYZJPZ-UHFFFAOYSA-N
XLogP2.59
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile (CID 114130548) is 3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile is CC1CCCC(CNc2nnccc2C#N)C1.
What is the InChIKey of 3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is MEQFELFYUYZJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-3-2-4-11(7-10)9-15-13-12(8-14)5-6-16-17-13/h5-6,10-11H,2-4,7,9H2,1H3,(H,15,17).
What are the key properties of 3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile?
3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 114130548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).