2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile

C15H20N4O — CID 114395668

IUPAC2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2ncc(N3CCCCC3)cc2=O)CC1
InChIInChI=1S/C15H20N4O/c16-7-6-15(4-5-15)12-19-14(20)10-13(11-17-19)18-8-2-1-3-9-18/h10-11H,1-6,8-9,12H2
InChIKeyYXOSPUPXNPXDTK-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds4

About 2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 114395668) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID114395668
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2ncc(N3CCCCC3)cc2=O)CC1
InChIInChI=1S/C15H20N4O/c16-7-6-15(4-5-15)12-19-14(20)10-13(11-17-19)18-8-2-1-3-9-18/h10-11H,1-6,8-9,12H2
InChIKeyYXOSPUPXNPXDTK-UHFFFAOYSA-N
XLogP1.93
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
5-(4-methylpiperidin-1-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399120
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-[[1-(bromomethyl)cyclobutyl]methyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 114394395
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-[(E)-4-chlorobut-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394198
2-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetonitrile
CID 114395748
4-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]butanenitrile
CID 114395673
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399199
2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72921157
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile (CID 114395668) is 2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(Cn2ncc(N3CCCCC3)cc2=O)CC1.
What is the InChIKey of 2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is YXOSPUPXNPXDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-7-6-15(4-5-15)12-19-14(20)10-13(11-17-19)18-8-2-1-3-9-18/h10-11H,1-6,8-9,12H2.
What are the key properties of 2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 272.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 114395668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).