6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile

C15H22N4 — CID 133420369

IUPAC6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile
SMILESCC(C)CCC1CCCCN1c1ccc(C#N)nn1
InChIInChI=1S/C15H22N4/c1-12(2)6-8-14-5-3-4-10-19(14)15-9-7-13(11-16)17-18-15/h7,9,12,14H,3-6,8,10H2,1-2H3
InChIKeyJRHJVAGLOLCOLW-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.14
Rot. Bonds4

About 6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile

6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 133420369) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile
PubChem CID133420369
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile
SMILESCC(C)CCC1CCCCN1c1ccc(C#N)nn1
InChIInChI=1S/C15H22N4/c1-12(2)6-8-14-5-3-4-10-19(14)15-9-7-13(11-16)17-18-15/h7,9,12,14H,3-6,8,10H2,1-2H3
InChIKeyJRHJVAGLOLCOLW-UHFFFAOYSA-N
XLogP3.14
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133364227
6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133421655
6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133418922
2-[1-(6-methylpyridazin-3-yl)piperidin-2-yl]ethanamine
CID 63655181
2-methyl-N-[[6-(2-propylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 83044693
2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine
CID 133377010
5-[2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 127909683
3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80676121
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
CID 146084662
3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 71851221
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
1-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine
CID 62279015

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile (CID 133420369) is 6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile is CC(C)CCC1CCCCN1c1ccc(C#N)nn1.
What is the InChIKey of 6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is JRHJVAGLOLCOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)6-8-14-5-3-4-10-19(14)15-9-7-13(11-16)17-18-15/h7,9,12,14H,3-6,8,10H2,1-2H3.
What are the key properties of 6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile?
6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133420369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).