5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium

C10H12N2O3 — CID 45097110

IUPAC5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium
SMILESCOc1cc2cn(C)[n+]([O-])c2cc1OC
InChIInChI=1S/C10H12N2O3/c1-11-6-7-4-9(14-2)10(15-3)5-8(7)12(11)13/h4-6H,1-3H3
InChIKeyTWQJVYRTLLKREZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.83
Rot. Bonds2

About 5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium

5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium (PubChem CID 45097110) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium.

Molecular Properties

Compound Name5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium
PubChem CID45097110
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium
SMILESCOc1cc2cn(C)[n+]([O-])c2cc1OC
InChIInChI=1S/C10H12N2O3/c1-11-6-7-4-9(14-2)10(15-3)5-8(7)12(11)13/h4-6H,1-3H3
InChIKeyTWQJVYRTLLKREZ-UHFFFAOYSA-N
XLogP0.83
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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2,3,9,10-tetramethoxy-7-methylbenzo[a]acridin-7-ium
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6,7-dimethoxy-2,3-dimethylisoquinolin-1-one
CID 5257820
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
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6,7-dimethoxy-1,2-dimethyl-4-methylsulfanylquinazolin-1-ium
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(3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine
CID 145148761
7,8-dimethoxy-3-methyl-3-benzazepine
CID 23462934
3-methoxy-1-methylpyrrole-2,5-diol
CID 91452563
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
6,7-dimethoxychromen-2-one
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5,6-dimethoxy-1,2,3-trimethylindole
CID 21049658

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium?
The IUPAC name of 5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium (CID 45097110) is 5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium.
What is the SMILES notation for 5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium?
The canonical SMILES for 5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium is COc1cc2cn(C)[n+]([O-])c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium?
The InChIKey is TWQJVYRTLLKREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-6-7-4-9(14-2)10(15-3)5-8(7)12(11)13/h4-6H,1-3H3.
What are the key properties of 5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium?
5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium has a molecular weight of 208.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-methyl-1-oxidoindazol-1-ium is sourced from PubChem (CID 45097110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).