3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile

C15H15ClN4 — CID 47151232

IUPAC3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)c2cccc(Cl)c2)c(C#N)c1C
InChIInChI=1S/C15H15ClN4/c1-9-10(2)19-20-15(14(9)8-17)18-11(3)12-5-4-6-13(16)7-12/h4-7,11H,1-3H3,(H,18,20)
InChIKeyKWWWIWMMYYOIQQ-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.79
Rot. Bonds3

About 3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 47151232) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID47151232
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC(C)c2cccc(Cl)c2)c(C#N)c1C
InChIInChI=1S/C15H15ClN4/c1-9-10(2)19-20-15(14(9)8-17)18-11(3)12-5-4-6-13(16)7-12/h4-7,11H,1-3H3,(H,18,20)
InChIKeyKWWWIWMMYYOIQQ-UHFFFAOYSA-N
XLogP3.79
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 60968436
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107057219
3-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133369076
3-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133473151
3-[[(R)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36628007
[(1R)-1-(3-chlorophenyl)ethyl]cyanamide
CID 81372417
5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 63613595
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638
3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 104828361
4-[1-(3-chlorophenyl)ethylamino]-3,5-difluorobenzonitrile
CID 78988350
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 47151232) is 3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NC(C)c2cccc(Cl)c2)c(C#N)c1C.
What is the InChIKey of 3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is KWWWIWMMYYOIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-9-10(2)19-20-15(14(9)8-17)18-11(3)12-5-4-6-13(16)7-12/h4-7,11H,1-3H3,(H,18,20).
What are the key properties of 3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 286.77 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 47151232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).