3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

C15H22N4S — CID 56788067

IUPAC3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCSC1CCCCN(c2nnc(C)c(C)c2C#N)C1
InChIInChI=1S/C15H22N4S/c1-4-20-13-7-5-6-8-19(10-13)15-14(9-16)11(2)12(3)17-18-15/h13H,4-8,10H2,1-3H3
InChIKeyGVZAAIBTQXOSJN-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.08
Rot. Bonds3

About 3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 56788067) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID56788067
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCSC1CCCCN(c2nnc(C)c(C)c2C#N)C1
InChIInChI=1S/C15H22N4S/c1-4-20-13-7-5-6-8-19(10-13)15-14(9-16)11(2)12(3)17-18-15/h13H,4-8,10H2,1-3H3
InChIKeyGVZAAIBTQXOSJN-UHFFFAOYSA-N
XLogP3.08
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (CID 56788067) is 3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is CCSC1CCCCN(c2nnc(C)c(C)c2C#N)C1.
What is the InChIKey of 3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is GVZAAIBTQXOSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-20-13-7-5-6-8-19(10-13)15-14(9-16)11(2)12(3)17-18-15/h13H,4-8,10H2,1-3H3.
What are the key properties of 3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 290.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfanylazepan-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 56788067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).