5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one

C12H19N3O2 — CID 114396211

IUPAC5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CCCC(C)=O)c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-4-14(3)11-8-12(17)15(13-9-11)7-5-6-10(2)16/h8-9H,4-7H2,1-3H3
InChIKeySFJYAOHNEHFPBY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.07
Rot. Bonds6

About 5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one

5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one (PubChem CID 114396211) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
PubChem CID114396211
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CCCC(C)=O)c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-4-14(3)11-8-12(17)15(13-9-11)7-5-6-10(2)16/h8-9H,4-7H2,1-3H3
InChIKeySFJYAOHNEHFPBY-UHFFFAOYSA-N
XLogP1.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394811
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920891
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393582
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
4-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanehydrazide
CID 114398501

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one (CID 114396211) is 5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one is CCN(C)c1cnn(CCCC(C)=O)c(=O)c1.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one?
The InChIKey is SFJYAOHNEHFPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-14(3)11-8-12(17)15(13-9-11)7-5-6-10(2)16/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one?
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one is sourced from PubChem (CID 114396211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).