4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one

C11H16N4O2 — CID 114393085

IUPAC4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one
SMILESCN(CC(=O)N1CCCC1)c1cn[nH]c(=O)c1
InChIInChI=1S/C11H16N4O2/c1-14(9-6-10(16)13-12-7-9)8-11(17)15-4-2-3-5-15/h6-7H,2-5,8H2,1H3,(H,13,16)
InChIKeyAVTSBPOEIOMZHB-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.17
Rot. Bonds3

About 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one

4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one (PubChem CID 114393085) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one
PubChem CID114393085
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one
SMILESCN(CC(=O)N1CCCC1)c1cn[nH]c(=O)c1
InChIInChI=1S/C11H16N4O2/c1-14(9-6-10(16)13-12-7-9)8-11(17)15-4-2-3-5-15/h6-7H,2-5,8H2,1H3,(H,13,16)
InChIKeyAVTSBPOEIOMZHB-UHFFFAOYSA-N
XLogP-0.17
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957593
2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438253
2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 62969965
1-(azepan-1-yl)-2-(3,4-difluoro-N-methylanilino)ethanone
CID 60572912
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
2-[4-(aminomethyl)-N-methylanilino]-1-(azepan-1-yl)ethanone
CID 43275613
4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 55025728
3-fluoro-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzaldehyde
CID 106529148
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 112698994
2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61440357
N,2-dimethyl-3-[methyl-(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 106918884
N-(6-oxo-1H-pyridazin-4-yl)piperidine-1-carboxamide
CID 20785091

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one (CID 114393085) is 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one is CN(CC(=O)N1CCCC1)c1cn[nH]c(=O)c1.
What is the InChIKey of 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one?
The InChIKey is AVTSBPOEIOMZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14(9-6-10(16)13-12-7-9)8-11(17)15-4-2-3-5-15/h6-7H,2-5,8H2,1H3,(H,13,16).
What are the key properties of 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one?
4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one has a molecular weight of 236.27 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 114393085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).