3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile

C19H25N5 — CID 133360889

IUPAC3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCCc2ccc(N(C)C)cc2)c(C#N)c1CC
InChIInChI=1S/C19H25N5/c1-5-16-17(13-20)19(23-22-18(16)6-2)21-12-11-14-7-9-15(10-8-14)24(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,21,23)
InChIKeyCNEHBMVSJZOMNW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.19
Rot. Bonds7

About 3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile

3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 133360889) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID133360889
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCCc2ccc(N(C)C)cc2)c(C#N)c1CC
InChIInChI=1S/C19H25N5/c1-5-16-17(13-20)19(23-22-18(16)6-2)21-12-11-14-7-9-15(10-8-14)24(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,21,23)
InChIKeyCNEHBMVSJZOMNW-UHFFFAOYSA-N
XLogP3.19
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80504517
3-[(4-chlorophenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80502090
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide
CID 80510567
5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
CID 115693824
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
CID 115325591
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile
CID 115693754
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504469
5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
CID 80509789
4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile (CID 133360889) is 3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NCCc2ccc(N(C)C)cc2)c(C#N)c1CC.
What is the InChIKey of 3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is CNEHBMVSJZOMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-5-16-17(13-20)19(23-22-18(16)6-2)21-12-11-14-7-9-15(10-8-14)24(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,21,23).
What are the key properties of 3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile?
3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 323.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133360889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).