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

C8H10N2O2 — CID 106548644

IUPAC5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one
SMILESCc1cnn(CC2CO2)c(=O)c1
InChIInChI=1S/C8H10N2O2/c1-6-2-8(11)10(9-3-6)4-7-5-12-7/h2-3,7H,4-5H2,1H3
InChIKeyUHHNFEPFLPTCGB-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.05
Rot. Bonds2

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

5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one (PubChem CID 106548644) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one
PubChem CID106548644
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one
SMILESCc1cnn(CC2CO2)c(=O)c1
InChIInChI=1S/C8H10N2O2/c1-6-2-8(11)10(9-3-6)4-7-5-12-7/h2-3,7H,4-5H2,1H3
InChIKeyUHHNFEPFLPTCGB-UHFFFAOYSA-N
XLogP-0.05
TPSA47.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Fluoro-2-hydroxypropyl)-5-methyl-2,3-dihydropyridazin-3-one
CID 165595267
2-(Oxiran-2-ylmethyl)pyridazin-3-one
CID 62849071
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-(4-Amino-3-ethoxybutyl)-5-methylpyridazin-3-one
CID 106548372
2-(3-Amino-2-ethoxypropyl)-5-methylpyridazin-3-one
CID 106548375
Propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548408
2-(2-Hydroxy-3-methoxypropyl)-5-methylpyridazin-3-one
CID 106548843
2-(2-Hydroxypropyl)-5-methylpyridazin-3-one
CID 106548847
2-(2,3-Dihydroxypropyl)-5-methylpyridazin-3-one
CID 106548849
2-(2-Hydroxybutyl)-5-methylpyridazin-3-one
CID 106548856
2-[(2R)-2-hydroxypropyl]-5-methylpyridazin-3-one
CID 106548983
2-[(2S)-2-hydroxypropyl]-5-methylpyridazin-3-one
CID 106549003

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one (CID 106548644) is 5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one is Cc1cnn(CC2CO2)c(=O)c1.
What is the InChIKey of 5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one?
The InChIKey is UHHNFEPFLPTCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-2-8(11)10(9-3-6)4-7-5-12-7/h2-3,7H,4-5H2,1H3.
What are the key properties of 5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one?
5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one has a molecular weight of 166.18 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 106548644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).