5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one

C9H13N3O2 — CID 114395499

IUPAC5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
SMILESCN(C)c1cnn(CC2CO2)c(=O)c1
InChIInChI=1S/C9H13N3O2/c1-11(2)7-3-9(13)12(10-4-7)5-8-6-14-8/h3-4,8H,5-6H2,1-2H3
InChIKeyUEAMXKSFTLYZSV-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.29
Rot. Bonds3

About 5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one

5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one (PubChem CID 114395499) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
PubChem CID114395499
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
SMILESCN(C)c1cnn(CC2CO2)c(=O)c1
InChIInChI=1S/C9H13N3O2/c1-11(2)7-3-9(13)12(10-4-7)5-8-6-14-8/h3-4,8H,5-6H2,1-2H3
InChIKeyUEAMXKSFTLYZSV-UHFFFAOYSA-N
XLogP-0.29
TPSA50.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylamino)-2-(morpholin-2-ylmethyl)pyridazin-3-one
CID 114395880
2-(2-cyclopropyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397069
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 45195111
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 97277530
5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397471
2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394227
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
CID 28871573
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one
CID 28956134
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 97269960

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one (CID 114395499) is 5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one is CN(C)c1cnn(CC2CO2)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one?
The InChIKey is UEAMXKSFTLYZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11(2)7-3-9(13)12(10-4-7)5-8-6-14-8/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one?
5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one has a molecular weight of 195.22 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 114395499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).