3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile

C12H16N4O — CID 114395662

IUPAC3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile
SMILESN#CCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C12H16N4O/c13-5-4-8-16-12(17)9-11(10-14-16)15-6-2-1-3-7-15/h9-10H,1-4,6-8H2
InChIKeyIOWXEMZLXPVYTM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.15
Rot. Bonds3

About 3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile

3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile (PubChem CID 114395662) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile
PubChem CID114395662
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile
SMILESN#CCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C12H16N4O/c13-5-4-8-16-12(17)9-11(10-14-16)15-6-2-1-3-7-15/h9-10H,1-4,6-8H2
InChIKeyIOWXEMZLXPVYTM-UHFFFAOYSA-N
XLogP1.15
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
3,3,3-Trifluoro-2-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]propanenitrile
CID 103368206
Trifluoro-[3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746474
2-methyl-5-(piperidin-1-yl)pyridazin-3(2H)-one
CID 13103626
4-[6-oxo-4-(1-piperidinyl)-1(6H)-pyridazinyl]butanamide
CID 56894429
5-(dimethylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3(2H)-one
CID 72844544
5-(dimethylamino)-2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridazin-3-one
CID 97188203
5-(dimethylamino)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridazin-3-one
CID 97188204
2-[2-(Aminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one
CID 103073061
5-(4-Amino-6-oxopyridazin-1-yl)pentanenitrile
CID 103218359
Potassium trifluoro-[3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746473
2-(4-Aminohexyl)-5-piperidin-1-ylpyridazin-3-one
CID 106800597

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile?
The IUPAC name of 3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile (CID 114395662) is 3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile.
What is the SMILES notation for 3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile?
The canonical SMILES for 3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile is N#CCCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile?
The InChIKey is IOWXEMZLXPVYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-5-4-8-16-12(17)9-11(10-14-16)15-6-2-1-3-7-15/h9-10H,1-4,6-8H2.
What are the key properties of 3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile?
3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile has a molecular weight of 232.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)propanenitrile is sourced from PubChem (CID 114395662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).