5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one

C14H25N5O2 — CID 103223101

IUPAC5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCC(N)COc1cnn(CCN2CCN(C)CC2)c(=O)c1
InChIInChI=1S/C14H25N5O2/c1-12(15)11-21-13-9-14(20)19(16-10-13)8-7-18-5-3-17(2)4-6-18/h9-10,12H,3-8,11,15H2,1-2H3
InChIKeyFCAIBCLBUUWRHT-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.78
Rot. Bonds6

About 5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one

5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 103223101) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID103223101
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCC(N)COc1cnn(CCN2CCN(C)CC2)c(=O)c1
InChIInChI=1S/C14H25N5O2/c1-12(15)11-21-13-9-14(20)19(16-10-13)8-7-18-5-3-17(2)4-6-18/h9-10,12H,3-8,11,15H2,1-2H3
InChIKeyFCAIBCLBUUWRHT-UHFFFAOYSA-N
XLogP-0.78
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 103223101) is 5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one is CC(N)COc1cnn(CCN2CCN(C)CC2)c(=O)c1.
What is the InChIKey of 5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is FCAIBCLBUUWRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-12(15)11-21-13-9-14(20)19(16-10-13)8-7-18-5-3-17(2)4-6-18/h9-10,12H,3-8,11,15H2,1-2H3.
What are the key properties of 5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one?
5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 295.39 g/mol, XLogP of -0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-[2-(4-methylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 103223101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).