5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one

C15H26N4O2 — CID 107914611

IUPAC5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
SMILESCC(N)COc1cnn(CCC2CCCCN2C)c(=O)c1
InChIInChI=1S/C15H26N4O2/c1-12(16)11-21-14-9-15(20)19(17-10-14)8-6-13-5-3-4-7-18(13)2/h9-10,12-13H,3-8,11,16H2,1-2H3
InChIKeyYKJSHLNUXBQVMN-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.84
Rot. Bonds6

About 5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one

5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one (PubChem CID 107914611) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
PubChem CID107914611
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
SMILESCC(N)COc1cnn(CCC2CCCCN2C)c(=O)c1
InChIInChI=1S/C15H26N4O2/c1-12(16)11-21-14-9-15(20)19(17-10-14)8-6-13-5-3-4-7-18(13)2/h9-10,12-13H,3-8,11,16H2,1-2H3
InChIKeyYKJSHLNUXBQVMN-UHFFFAOYSA-N
XLogP0.84
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 107914573
5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one
CID 103222927
5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
CID 107914577
5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one
CID 103223050
5-(2-aminopropoxy)-2-benzylpyridazin-3-one
CID 103223013
1-methyl-2-[2-(5-methylpyrazol-1-yl)ethyl]piperidine
CID 107914184
1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine
CID 66218738
1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913197
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one
CID 99737491
5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione
CID 107912148

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one (CID 107914611) is 5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one is CC(N)COc1cnn(CCC2CCCCN2C)c(=O)c1.
What is the InChIKey of 5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
The InChIKey is YKJSHLNUXBQVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(16)11-21-14-9-15(20)19(17-10-14)8-6-13-5-3-4-7-18(13)2/h9-10,12-13H,3-8,11,16H2,1-2H3.
What are the key properties of 5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one has a molecular weight of 294.40 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 107914611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).