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

C12H16N4 — CID 80509395

IUPAC3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile
SMILESCC1CCC(Nc2nnccc2C#N)CC1
InChIInChI=1S/C12H16N4/c1-9-2-4-11(5-3-9)15-12-10(8-13)6-7-14-16-12/h6-7,9,11H,2-5H2,1H3,(H,15,16)
InChIKeyTVFJAZNPIXYIKO-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.34
Rot. Bonds2

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

3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile (PubChem CID 80509395) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile
PubChem CID80509395
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile
SMILESCC1CCC(Nc2nnccc2C#N)CC1
InChIInChI=1S/C12H16N4/c1-9-2-4-11(5-3-9)15-12-10(8-13)6-7-14-16-12/h6-7,9,11H,2-5H2,1H3,(H,15,16)
InChIKeyTVFJAZNPIXYIKO-UHFFFAOYSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile (CID 80509395) is 3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile is CC1CCC(Nc2nnccc2C#N)CC1.
What is the InChIKey of 3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile?
The InChIKey is TVFJAZNPIXYIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-2-4-11(5-3-9)15-12-10(8-13)6-7-14-16-12/h6-7,9,11H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile?
3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).