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

C15H23N5 — CID 80514896

IUPAC3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN(c1nnc(C)c(C)c1C#N)C1CCC(N)CC1
InChIInChI=1S/C15H23N5/c1-4-20(13-7-5-12(17)6-8-13)15-14(9-16)10(2)11(3)18-19-15/h12-13H,4-8,17H2,1-3H3
InChIKeyCFWKRIPCQUZZSG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.06
Rot. Bonds3

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

3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 80514896) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID80514896
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN(c1nnc(C)c(C)c1C#N)C1CCC(N)CC1
InChIInChI=1S/C15H23N5/c1-4-20(13-7-5-12(17)6-8-13)15-14(9-16)10(2)11(3)18-19-15/h12-13H,4-8,17H2,1-3H3
InChIKeyCFWKRIPCQUZZSG-UHFFFAOYSA-N
XLogP2.06
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Fluorophenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535619
N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 36724137
N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]propane-1-sulfonamide
CID 45813705
5,6-Dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 47054754
3-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 56817331
5,6-Dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 31535189
3-[2-(Azepan-1-yl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 32878096
5,6-dimethyl-3-[[(2S)-4-phenylbutan-2-yl]amino]pyridazine-4-carbonitrile
CID 36545748
3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36721664
3-[(3,5-Difluorophenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 37620902
3-[(1-Benzylpiperidin-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 71853684
5,6-Diethyl-3-[4-(4-methylpiperazin-1-yl)butylamino]pyridazine-4-carbonitrile
CID 75379455

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 80514896) is 3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile is CCN(c1nnc(C)c(C)c1C#N)C1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is CFWKRIPCQUZZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-20(13-7-5-12(17)6-8-13)15-14(9-16)10(2)11(3)18-19-15/h12-13H,4-8,17H2,1-3H3.
What are the key properties of 3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80514896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).