5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile

C12H18N4 — CID 31535274

IUPAC5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCCC(C)C)c(C#N)c1C
InChIInChI=1S/C12H18N4/c1-8(2)5-6-14-12-11(7-13)9(3)10(4)15-16-12/h8H,5-6H2,1-4H3,(H,14,16)
InChIKeyXFNJJXUOAMRDPA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.42
Rot. Bonds4

About 5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile (PubChem CID 31535274) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile
PubChem CID31535274
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCCC(C)C)c(C#N)c1C
InChIInChI=1S/C12H18N4/c1-8(2)5-6-14-12-11(7-13)9(3)10(4)15-16-12/h8H,5-6H2,1-4H3,(H,14,16)
InChIKeyXFNJJXUOAMRDPA-UHFFFAOYSA-N
XLogP2.42
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-3-(3-methylbutylamino)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 5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile (CID 31535274) is 5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile is Cc1nnc(NCCC(C)C)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile?
The InChIKey is XFNJJXUOAMRDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8(2)5-6-14-12-11(7-13)9(3)10(4)15-16-12/h8H,5-6H2,1-4H3,(H,14,16).
What are the key properties of 5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(3-methylbutylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 31535274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).