5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile

C16H18N4 — CID 60968436

IUPAC5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1ccc(C(C)Nc2nnc(C)c(C)c2C#N)cc1
InChIInChI=1S/C16H18N4/c1-10-5-7-14(8-6-10)13(4)18-16-15(9-17)11(2)12(3)19-20-16/h5-8,13H,1-4H3,(H,18,20)
InChIKeyPPKKQBFMASZDAX-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.45
Rot. Bonds3

About 5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 60968436) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile
PubChem CID60968436
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1ccc(C(C)Nc2nnc(C)c(C)c2C#N)cc1
InChIInChI=1S/C16H18N4/c1-10-5-7-14(8-6-10)13(4)18-16-15(9-17)11(2)12(3)19-20-16/h5-8,13H,1-4H3,(H,18,20)
InChIKeyPPKKQBFMASZDAX-UHFFFAOYSA-N
XLogP3.45
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylamino]pyridazine-4-carbonitrile
CID 51125562
3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133369076
3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47151232
5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 63613595
3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 104828361
5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 63010424
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-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36628003
3-[[(R)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36628007
5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile
CID 115631606
3-[[(2S)-4-(dimethylamino)butan-2-yl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 94227150

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile (CID 60968436) is 5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile is Cc1ccc(C(C)Nc2nnc(C)c(C)c2C#N)cc1.
What is the InChIKey of 5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is PPKKQBFMASZDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-5-7-14(8-6-10)13(4)18-16-15(9-17)11(2)12(3)19-20-16/h5-8,13H,1-4H3,(H,18,20).
What are the key properties of 5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.45, 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-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 60968436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).