1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile

C10H12N4O — CID 121205967

IUPAC1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H12N4O/c11-7-8-3-5-14(6-4-8)9-1-2-10(15)13-12-9/h1-2,8H,3-6H2,(H,13,15)
InChIKeyQVFOTCDQTSCAHU-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.51
Rot. Bonds1

About 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile

1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile (PubChem CID 121205967) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile
PubChem CID121205967
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H12N4O/c11-7-8-3-5-14(6-4-8)9-1-2-10(15)13-12-9/h1-2,8H,3-6H2,(H,13,15)
InChIKeyQVFOTCDQTSCAHU-UHFFFAOYSA-N
XLogP0.51
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Piperidin-1-yl)pyridazin-3(2H)-one
CID 13274968
6-(4-(Trifluoromethyl)piperidin-1-yl)pyridazin-3-ol
CID 121205031
6-(4-Methylpiperidin-1-yl)pyridazin-3-ol
CID 10465204
6-(3,5-Dimethylpiperidin-1-yl)pyridazin-3-ol
CID 121205011
6-(3-Methylpiperidin-1-yl)pyridazin-3-ol
CID 121205019
1-(6-Hydroxypyridazin-3-yl)piperidine-4-carboxamide
CID 121205974
3-[(3R)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one
CID 129368412
3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one
CID 129368413
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1H-pyridazin-6-one
CID 129498695
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1H-pyridazin-6-one
CID 129498702
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyridazin-6-one
CID 129498703
6-(3-(Methyl-d3)piperidin-1-yl-2,2,3,4,4,5,5,6,6-d9)pyridazin-3-ol
CID 172401495

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile (CID 121205967) is 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile is N#CC1CCN(c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile?
The InChIKey is QVFOTCDQTSCAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-7-8-3-5-14(6-4-8)9-1-2-10(15)13-12-9/h1-2,8H,3-6H2,(H,13,15).
What are the key properties of 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile?
1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 121205967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).