1-methyl-2-phenylindazol-1-ium

C14H13N2+ — CID 71682266

IUPAC1-methyl-2-phenylindazol-1-ium
SMILESC[n+]1c2ccccc2cn1-c1ccccc1
InChIInChI=1S/C14H13N2/c1-15-14-10-6-5-7-12(14)11-16(15)13-8-3-2-4-9-13/h2-11H,1H3/q+1
InChIKeyUEVAMEGARCKRSR-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.45
Rot. Bonds1

About 1-methyl-2-phenylindazol-1-ium

1-methyl-2-phenylindazol-1-ium (PubChem CID 71682266) has the molecular formula C14H13N2+ and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-methyl-2-phenylindazol-1-ium.

Molecular Properties

Compound Name1-methyl-2-phenylindazol-1-ium
PubChem CID71682266
Molecular FormulaC14H13N2+
Molecular Weight209.27 g/mol
Exact Mass209.11
IUPAC Name1-methyl-2-phenylindazol-1-ium
SMILESC[n+]1c2ccccc2cn1-c1ccccc1
InChIInChI=1S/C14H13N2/c1-15-14-10-6-5-7-12(14)11-16(15)13-8-3-2-4-9-13/h2-11H,1H3/q+1
InChIKeyUEVAMEGARCKRSR-UHFFFAOYSA-N
XLogP2.45
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(1-methylindazol-1-ium-2-yl)-5-(2-methylpyrimidin-1-ium-1-yl)benzonitrile
CID 153253492
methane;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 159871340
benzene;ethane;methane;naphthalene
CID 162063718
ethane;naphthalene
CID 144512894
3-tert-butyl-1-phenylpyrrole
CID 154132492
benzene;ethane;methanol;naphthalene
CID 159824016
naphthalene
CID 10240860
naphthalene
CID 21288458
hydrogen sulfate;5-methylindazolo[2,3-b]isoquinolin-5-ium
CID 10449304
3,7-dimethyl-1,5-diphenyl-1,5,3,7-diazadiphosphocane
CID 12605483
2-ethyl-1-phenylindazol-2-ium
CID 102532299
1,2,3-trimethylquinolin-1-ium chloride
CID 134987005

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylindazol-1-ium?
The IUPAC name of 1-methyl-2-phenylindazol-1-ium (CID 71682266) is 1-methyl-2-phenylindazol-1-ium.
What is the SMILES notation for 1-methyl-2-phenylindazol-1-ium?
The canonical SMILES for 1-methyl-2-phenylindazol-1-ium is C[n+]1c2ccccc2cn1-c1ccccc1.
What is the InChIKey of 1-methyl-2-phenylindazol-1-ium?
The InChIKey is UEVAMEGARCKRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2/c1-15-14-10-6-5-7-12(14)11-16(15)13-8-3-2-4-9-13/h2-11H,1H3/q+1.
What are the key properties of 1-methyl-2-phenylindazol-1-ium?
1-methyl-2-phenylindazol-1-ium has a molecular weight of 209.27 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylindazol-1-ium is sourced from PubChem (CID 71682266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).