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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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).