2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile

C11H14N4O — CID 114395663

IUPAC2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile
SMILESN#CCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C11H14N4O/c12-4-7-15-11(16)8-10(9-13-15)14-5-2-1-3-6-14/h8-9H,1-3,5-7H2
InChIKeyWIZVUQHOEVOLSQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.76
Rot. Bonds2

About 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile

2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile (PubChem CID 114395663) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile
PubChem CID114395663
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile
SMILESN#CCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C11H14N4O/c12-4-7-15-11(16)8-10(9-13-15)14-5-2-1-3-6-14/h8-9H,1-3,5-7H2
InChIKeyWIZVUQHOEVOLSQ-UHFFFAOYSA-N
XLogP0.76
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.76
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
Trifluoro-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]boranuide
CID 114398756
5-(1-Piperidinyl)-3(2H)-pyridazinone
CID 13103623
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

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile?
The IUPAC name of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile (CID 114395663) is 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile?
The canonical SMILES for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile is N#CCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile?
The InChIKey is WIZVUQHOEVOLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-4-7-15-11(16)8-10(9-13-15)14-5-2-1-3-6-14/h8-9H,1-3,5-7H2.
What are the key properties of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile?
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetonitrile is sourced from PubChem (CID 114395663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).