5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile

C17H27N5 — CID 47054754

IUPAC5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCC(CN(C)C(C)C)CC2)c(C#N)c1C
InChIInChI=1S/C17H27N5/c1-12(2)21(5)11-15-6-8-22(9-7-15)17-16(10-18)13(3)14(4)19-20-17/h12,15H,6-9,11H2,1-5H3
InChIKeyZQYGQSRGCYMZRF-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.52
Rot. Bonds4

About 5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile

5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 47054754) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile
PubChem CID47054754
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCC(CN(C)C(C)C)CC2)c(C#N)c1C
InChIInChI=1S/C17H27N5/c1-12(2)21(5)11-15-6-8-22(9-7-15)17-16(10-18)13(3)14(4)19-20-17/h12,15H,6-9,11H2,1-5H3
InChIKeyZQYGQSRGCYMZRF-UHFFFAOYSA-N
XLogP2.52
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Dimethyl-3-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]pyridazine-4-carbonitrile
CID 31536803
N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 36724137
5,6-Dimethyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]pyridazine-4-carbonitrile
CID 36728384
3-(2-Ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 42949502
N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]propane-1-sulfonamide
CID 45813705
5,6-Dimethyl-3-(2-methylmorpholin-4-yl)pyridazine-4-carbonitrile
CID 45872193
3-[2-[(Dimethylamino)methyl]morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 53599004
[1-(4-Cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 56805190
[1-(4-Cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
CID 56805197
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-(4-Acetylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535262

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile (CID 47054754) is 5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile is Cc1nnc(N2CCC(CN(C)C(C)C)CC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is ZQYGQSRGCYMZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-12(2)21(5)11-15-6-8-22(9-7-15)17-16(10-18)13(3)14(4)19-20-17/h12,15H,6-9,11H2,1-5H3.
What are the key properties of 5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 301.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 47054754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).