1-ethoxy-3-oxidophthalazin-3-ium

C10H10N2O2 — CID 605383

IUPAC1-ethoxy-3-oxidophthalazin-3-ium
SMILESCCOc1n[n+]([O-])cc2ccccc12
InChIInChI=1S/C10H10N2O2/c1-2-14-10-9-6-4-3-5-8(9)7-12(13)11-10/h3-7H,2H2,1H3
InChIKeyQMTDVDADAQUMCH-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.27
Rot. Bonds2

About 1-ethoxy-3-oxidophthalazin-3-ium

1-ethoxy-3-oxidophthalazin-3-ium (PubChem CID 605383) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-ethoxy-3-oxidophthalazin-3-ium.

Molecular Properties

Compound Name1-ethoxy-3-oxidophthalazin-3-ium
PubChem CID605383
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-ethoxy-3-oxidophthalazin-3-ium
SMILESCCOc1n[n+]([O-])cc2ccccc12
InChIInChI=1S/C10H10N2O2/c1-2-14-10-9-6-4-3-5-8(9)7-12(13)11-10/h3-7H,2H2,1H3
InChIKeyQMTDVDADAQUMCH-UHFFFAOYSA-N
XLogP1.27
TPSA49.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1-ethoxyisoquinolin-3-yl)methanamine
CID 62290468
1,3-diethoxy-4-methylisoquinoline
CID 68982329
N-[(1-ethoxyisoquinolin-3-yl)methyl]-2-methylpropan-1-amine
CID 62292089
5-(1-ethoxyisoquinolin-3-yl)-1,2,4-triazol-3-one
CID 156595841
2-ethoxybenzo[h]quinazoline
CID 141466495
4-ethoxyquinazoline
CID 589708
4-ethoxy-N-phenylquinazolin-2-amine
CID 134868632
(2-ethoxyquinolin-3-yl)-trimethylsilane
CID 174326687
4-bromo-1-ethoxyisoquinoline
CID 614075
lithium;1-ethoxynaphthalene;hydride
CID 174613942
2-ethoxy-N-methylquinolin-3-amine
CID 174800672
ethoxyethane;phenanthrene
CID 174652079

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-oxidophthalazin-3-ium?
The IUPAC name of 1-ethoxy-3-oxidophthalazin-3-ium (CID 605383) is 1-ethoxy-3-oxidophthalazin-3-ium.
What is the SMILES notation for 1-ethoxy-3-oxidophthalazin-3-ium?
The canonical SMILES for 1-ethoxy-3-oxidophthalazin-3-ium is CCOc1n[n+]([O-])cc2ccccc12.
What is the InChIKey of 1-ethoxy-3-oxidophthalazin-3-ium?
The InChIKey is QMTDVDADAQUMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10-9-6-4-3-5-8(9)7-12(13)11-10/h3-7H,2H2,1H3.
What are the key properties of 1-ethoxy-3-oxidophthalazin-3-ium?
1-ethoxy-3-oxidophthalazin-3-ium has a molecular weight of 190.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-oxidophthalazin-3-ium is sourced from PubChem (CID 605383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).