3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile

C15H15ClN4 — CID 31535380

IUPAC3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCCc2ccc(Cl)cc2)c(C#N)c1C
InChIInChI=1S/C15H15ClN4/c1-10-11(2)19-20-15(14(10)9-17)18-8-7-12-3-5-13(16)6-4-12/h3-6H,7-8H2,1-2H3,(H,18,20)
InChIKeyUOAXUEGPATZKRY-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.27
Rot. Bonds4

About 3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 31535380) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID31535380
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCCc2ccc(Cl)cc2)c(C#N)c1C
InChIInChI=1S/C15H15ClN4/c1-10-11(2)19-20-15(14(10)9-17)18-8-7-12-3-5-13(16)6-4-12/h3-6H,7-8H2,1-2H3,(H,18,20)
InChIKeyUOAXUEGPATZKRY-UHFFFAOYSA-N
XLogP3.27
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535199
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535408
5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
CID 36722480
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36723585
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
3-[[4-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 107232346
5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile
CID 103744374
3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80510280
3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 75416962
5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile
CID 133348775
3-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile
CID 115577669
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 31535380) is 3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NCCc2ccc(Cl)cc2)c(C#N)c1C.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is UOAXUEGPATZKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10-11(2)19-20-15(14(10)9-17)18-8-7-12-3-5-13(16)6-4-12/h3-6H,7-8H2,1-2H3,(H,18,20).
What are the key properties of 3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 286.77 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 31535380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).