1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile

C11H14N4 — CID 86261783

IUPAC1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile
SMILESCc1ccc(N2CCC(C#N)CC2)nn1
InChIInChI=1S/C11H14N4/c1-9-2-3-11(14-13-9)15-6-4-10(8-12)5-7-15/h2-3,10H,4-7H2,1H3
InChIKeyDGOSKQQIPSPWDN-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.52
Rot. Bonds1

About 1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile

1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile (PubChem CID 86261783) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile
PubChem CID86261783
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile
SMILESCc1ccc(N2CCC(C#N)CC2)nn1
InChIInChI=1S/C11H14N4/c1-9-2-3-11(14-13-9)15-6-4-10(8-12)5-7-15/h2-3,10H,4-7H2,1H3
InChIKeyDGOSKQQIPSPWDN-UHFFFAOYSA-N
XLogP1.52
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile (CID 86261783) is 1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile is Cc1ccc(N2CCC(C#N)CC2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile?
The InChIKey is DGOSKQQIPSPWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-2-3-11(14-13-9)15-6-4-10(8-12)5-7-15/h2-3,10H,4-7H2,1H3.
What are the key properties of 1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile?
1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 86261783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).