3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile

C13H20N4 — CID 104828361

IUPAC3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)C(C)(C)C)c(C#N)c1C
InChIInChI=1S/C13H20N4/c1-8-9(2)16-17-12(11(8)7-14)15-10(3)13(4,5)6/h10H,1-6H3,(H,15,17)
InChIKeyXJFWTYRSAMBZFR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.81
Rot. Bonds2

About 3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile

3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 104828361) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID104828361
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)C(C)(C)C)c(C#N)c1C
InChIInChI=1S/C13H20N4/c1-8-9(2)16-17-12(11(8)7-14)15-10(3)13(4,5)6/h10H,1-6H3,(H,15,17)
InChIKeyXJFWTYRSAMBZFR-UHFFFAOYSA-N
XLogP2.81
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-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

Related Compounds

5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585
5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile
CID 47394896
3-[(4-hydroxy-3-methylbutan-2-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 115644030
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 60968436
5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile
CID 115631606
2-[[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]methyl]-3-methylbutanoic acid
CID 80508263
3-[[(2S)-4-(dimethylamino)butan-2-yl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 94227150
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 63010424
5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 63613595
5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile
CID 115586277

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile (CID 104828361) is 3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NC(C)C(C)(C)C)c(C#N)c1C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is XJFWTYRSAMBZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-8-9(2)16-17-12(11(8)7-14)15-10(3)13(4,5)6/h10H,1-6H3,(H,15,17).
What are the key properties of 3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 104828361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).