3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one

C14H22N4O — CID 126930470

IUPAC3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCCCC2CNC2CCC2)n[nH]1
InChIInChI=1S/C14H22N4O/c19-14-8-7-13(16-17-14)18-9-2-1-6-12(18)10-15-11-4-3-5-11/h7-8,11-12,15H,1-6,9-10H2,(H,17,19)
InChIKeyAQGCOIBOLOJTSY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.27
Rot. Bonds4

About 3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one

3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 126930470) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID126930470
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCCCC2CNC2CCC2)n[nH]1
InChIInChI=1S/C14H22N4O/c19-14-8-7-13(16-17-14)18-9-2-1-6-12(18)10-15-11-4-3-5-11/h7-8,11-12,15H,1-6,9-10H2,(H,17,19)
InChIKeyAQGCOIBOLOJTSY-UHFFFAOYSA-N
XLogP1.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Piperidin-1-yl)pyridazin-3(2H)-one
CID 13274968
6-(4-(2-Fluorocyclobutyl)piperazin-1-yl)pyridazin-3-ol
CID 168021762
6-(3-Aminopiperidin-1-YL)-2,3-dihydropyridazin-3-one
CID 124052724
6-(Piperazin-1-yl)pyridazin-3(2H)-one
CID 5121298
4-(6-Hydroxypyridazin-3-yl)piperazine, hydrobromide
CID 20437730
6-(Piperazin-1-yl)pyridazin-3-ol hydrochloride
CID 68509903
6-(Cyclohexylamino)pyridazin-3-ol
CID 94830610
4-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1H-pyridazin-6-one
CID 155284728
4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one
CID 155284729
3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
CID 178116543
ethane;3-piperazin-1-yl-1H-pyridazin-6-one
CID 178116795
N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide
CID 75370697

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one (CID 126930470) is 3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one is O=c1ccc(N2CCCCC2CNC2CCC2)n[nH]1.
What is the InChIKey of 3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is AQGCOIBOLOJTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14-8-7-13(16-17-14)18-9-2-1-6-12(18)10-15-11-4-3-5-11/h7-8,11-12,15H,1-6,9-10H2,(H,17,19).
What are the key properties of 3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(cyclobutylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 126930470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).