5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile

C16H18N4 — CID 31536211

IUPAC5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1ccccc1CCNc1nnc(C)c(C)c1C#N
InChIInChI=1S/C16H18N4/c1-11-6-4-5-7-14(11)8-9-18-16-15(10-17)12(2)13(3)19-20-16/h4-7H,8-9H2,1-3H3,(H,18,20)
InChIKeyDYUYATFJLORACM-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.93
Rot. Bonds4

About 5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 31536211) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
PubChem CID31536211
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1ccccc1CCNc1nnc(C)c(C)c1C#N
InChIInChI=1S/C16H18N4/c1-11-6-4-5-7-14(11)8-9-18-16-15(10-17)12(2)13(3)19-20-16/h4-7H,8-9H2,1-3H3,(H,18,20)
InChIKeyDYUYATFJLORACM-UHFFFAOYSA-N
XLogP2.93
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535380
5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
CID 36722480
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile
CID 31536591
5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile
CID 133348775
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535408
6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 79749151
5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile
CID 103744374
5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile
CID 36617158
5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 62639917
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36723585
6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80836692

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile (CID 31536211) is 5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile is Cc1ccccc1CCNc1nnc(C)c(C)c1C#N.
What is the InChIKey of 5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is DYUYATFJLORACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-6-4-5-7-14(11)8-9-18-16-15(10-17)12(2)13(3)19-20-16/h4-7H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.93, 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-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 31536211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).