5-ethyl-2-methyl-3-phenyltetrazol-2-ium

C10H13N4+ — CID 22973548

IUPAC5-ethyl-2-methyl-3-phenyltetrazol-2-ium
SMILESCCc1nn(-c2ccccc2)[n+](C)n1
InChIInChI=1S/C10H13N4/c1-3-10-11-13(2)14(12-10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/q+1
InChIKeyCZJSBGYZLMREBE-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.65
Rot. Bonds2

About 5-ethyl-2-methyl-3-phenyltetrazol-2-ium

5-ethyl-2-methyl-3-phenyltetrazol-2-ium (PubChem CID 22973548) has the molecular formula C10H13N4+ and a molecular weight of 189.24 g/mol. Its IUPAC name is 5-ethyl-2-methyl-3-phenyltetrazol-2-ium.

Molecular Properties

Compound Name5-ethyl-2-methyl-3-phenyltetrazol-2-ium
PubChem CID22973548
Molecular FormulaC10H13N4+
Molecular Weight189.24 g/mol
Exact Mass189.11
IUPAC Name5-ethyl-2-methyl-3-phenyltetrazol-2-ium
SMILESCCc1nn(-c2ccccc2)[n+](C)n1
InChIInChI=1S/C10H13N4/c1-3-10-11-13(2)14(12-10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/q+1
InChIKeyCZJSBGYZLMREBE-UHFFFAOYSA-N
XLogP0.65
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-2,3-diphenyltetrazol-2-ium
CID 2916216
(5-ethyl-2-phenyltriazol-4-yl)methanol
CID 18002316
2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium
CID 44630123
5-methyl-2,3-diphenyltetrazol-2-ium chloride
CID 13010650
3-methyl-2-phenylphenanthro[9,10-d]triazol-3-ium
CID 10692904
2-phenyl-1-propyltriazol-1-ium chloride
CID 163986412
ethylcyclodecapentaene
CID 90861705
[2-(4-ethylphenyl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629128
3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine
CID 142337220
N-ethyl-3-phenyl-2H-1,3,4-selenadiazol-2-amine
CID 175028387
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-3-phenyltetrazol-2-ium?
The IUPAC name of 5-ethyl-2-methyl-3-phenyltetrazol-2-ium (CID 22973548) is 5-ethyl-2-methyl-3-phenyltetrazol-2-ium.
What is the SMILES notation for 5-ethyl-2-methyl-3-phenyltetrazol-2-ium?
The canonical SMILES for 5-ethyl-2-methyl-3-phenyltetrazol-2-ium is CCc1nn(-c2ccccc2)[n+](C)n1.
What is the InChIKey of 5-ethyl-2-methyl-3-phenyltetrazol-2-ium?
The InChIKey is CZJSBGYZLMREBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N4/c1-3-10-11-13(2)14(12-10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/q+1.
What are the key properties of 5-ethyl-2-methyl-3-phenyltetrazol-2-ium?
5-ethyl-2-methyl-3-phenyltetrazol-2-ium has a molecular weight of 189.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-3-phenyltetrazol-2-ium is sourced from PubChem (CID 22973548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).