6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one

C12H19N3O2 — CID 55156072

IUPAC6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCNCC2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-10-4-5-12(16)15(14-10)7-6-13-9-11-3-2-8-17-11/h4-5,11,13H,2-3,6-9H2,1H3
InChIKeyDLOWPGRKJGZCSF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.32
Rot. Bonds5

About 6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one

6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one (PubChem CID 55156072) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
PubChem CID55156072
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCNCC2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-10-4-5-12(16)15(14-10)7-6-13-9-11-3-2-8-17-11/h4-5,11,13H,2-3,6-9H2,1H3
InChIKeyDLOWPGRKJGZCSF-UHFFFAOYSA-N
XLogP0.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 62848753
4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 126863858
5-(diethylamino)-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 114397695
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 55088130
2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one
CID 62925137
2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one
CID 66474746
1-ethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidine-2,4-dione
CID 63810079
1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280433
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 122166158
5-bromo-3-methyl-1-[2-(oxolan-2-ylmethylamino)ethyl]pyridin-2-one
CID 83134085
2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one
CID 62924077
6-methyl-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one
CID 126975166

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one (CID 55156072) is 6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCNCC2CCCO2)n1.
What is the InChIKey of 6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one?
The InChIKey is DLOWPGRKJGZCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10-4-5-12(16)15(14-10)7-6-13-9-11-3-2-8-17-11/h4-5,11,13H,2-3,6-9H2,1H3.
What are the key properties of 6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one?
6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 55156072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).