2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium

C17H16N7+ — CID 22465243

IUPAC2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium
SMILESCc1nn(-n2nc(-c3ccccc3)n[n+]2-c2ccccc2)nc1C
InChIInChI=1S/C17H16N7/c1-13-14(2)19-23(18-13)24-21-17(15-9-5-3-6-10-15)20-22(24)16-11-7-4-8-12-16/h3-12H,1-2H3/q+1
InChIKeyFNXRVJOKKAWFCV-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.74
Rot. Bonds3

About 2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium

2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium (PubChem CID 22465243) has the molecular formula C17H16N7+ and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium.

Molecular Properties

Compound Name2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium
PubChem CID22465243
Molecular FormulaC17H16N7+
Molecular Weight318.36 g/mol
Exact Mass318.15
IUPAC Name2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium
SMILESCc1nn(-n2nc(-c3ccccc3)n[n+]2-c2ccccc2)nc1C
InChIInChI=1S/C17H16N7/c1-13-14(2)19-23(18-13)24-21-17(15-9-5-3-6-10-15)20-22(24)16-11-7-4-8-12-16/h3-12H,1-2H3/q+1
InChIKeyFNXRVJOKKAWFCV-UHFFFAOYSA-N
XLogP1.74
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Triphenyltetrazolium chloride
CID 9283
2,3,5-Triphenyltetrazolium
CID 9284
2,3,5-Triphenyltetrazolium bromide
CID 101965
2,5-Diphenyl-2H-tetrazole
CID 140328
p-Tolyltetrazolium Red
CID 9863161
2-(4-Methylphenyl)-5-phenyltetrazole
CID 570569
o-TOLYLTETRAZOLIUM RED
CID 24189418
Cambridge id 5618846
CID 732431
2,5-diphenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium
CID 732432
N-[(E)-[(4,5-dimethyltriazol-2-yl)-phenylmethylidene]amino]aniline
CID 14381184
3-(4,5-Dimethyltriazol-2yl)-2,5 diphenyltetrazolium bromide
CID 22403012
2-(4,5-Dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium
CID 67359495

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium?
The IUPAC name of 2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium (CID 22465243) is 2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium.
What is the SMILES notation for 2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium?
The canonical SMILES for 2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium is Cc1nn(-n2nc(-c3ccccc3)n[n+]2-c2ccccc2)nc1C.
What is the InChIKey of 2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium?
The InChIKey is FNXRVJOKKAWFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N7/c1-13-14(2)19-23(18-13)24-21-17(15-9-5-3-6-10-15)20-22(24)16-11-7-4-8-12-16/h3-12H,1-2H3/q+1.
What are the key properties of 2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium?
2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium has a molecular weight of 318.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium is sourced from PubChem (CID 22465243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).