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

C17H16N7+ — CID 67359495

IUPAC2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium
SMILESCc1nn([N+]2(c3ccccc3)N=NC(c3ccccc3)=N2)nc1C
InChIInChI=1S/C17H16N7/c1-13-14(2)20-23(19-13)24(16-11-7-4-8-12-16)21-17(18-22-24)15-9-5-3-6-10-15/h3-12H,1-2H3/q+1
InChIKeyZGRWPLCCAPOONR-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.41
Rot. Bonds3

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

2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium (PubChem CID 67359495) has the molecular formula C17H16N7+ and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium.

Molecular Properties

Compound Name2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium
PubChem CID67359495
Molecular FormulaC17H16N7+
Molecular Weight318.36 g/mol
Exact Mass318.15
IUPAC Name2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium
SMILESCc1nn([N+]2(c3ccccc3)N=NC(c3ccccc3)=N2)nc1C
InChIInChI=1S/C17H16N7/c1-13-14(2)20-23(19-13)24(16-11-7-4-8-12-16)21-17(18-22-24)15-9-5-3-6-10-15/h3-12H,1-2H3/q+1
InChIKeyZGRWPLCCAPOONR-UHFFFAOYSA-N
XLogP3.41
TPSA67.79 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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2,4,5-Triphenyl-1,2,3-triazol
CID 561195
2-Methyl-4,5-diphenyltriazole
CID 12207436
4,5-Bis(4-methylphenyl)-2-phenyltriazole
CID 12519717
4-[5-(4-Carbamimidoylphenyl)-2-phenyl-triazol-4-yl]benzamidine
CID 71593965
4-[2-(4-Carbamimidoylphenyl)-5-phenyl-triazol-4-yl]benzamidine
CID 71593967
N-[(E)-[(4,5-dimethyltriazol-2-yl)-phenylmethylidene]amino]aniline
CID 14381184
2-(4-Methylphenyl)benzotriazole
CID 10465687
2-(2-Methylphenyl)-4,5,6,7-tetrahydrobenzotriazole
CID 10751095
2-(m-Tolyl)-2H-benzo[d][1,2,3]triazole
CID 11643399
3-(4,5-Dimethyltriazol-2yl)-2,5 diphenyltetrazolium bromide
CID 22403012
2-(4,5-Dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium
CID 22465243
4-Ethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole
CID 71132056

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium?
The IUPAC name of 2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium (CID 67359495) is 2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium.
What is the SMILES notation for 2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium?
The canonical SMILES for 2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium is Cc1nn([N+]2(c3ccccc3)N=NC(c3ccccc3)=N2)nc1C.
What is the InChIKey of 2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium?
The InChIKey is ZGRWPLCCAPOONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N7/c1-13-14(2)20-23(19-13)24(16-11-7-4-8-12-16)21-17(18-22-24)15-9-5-3-6-10-15/h3-12H,1-2H3/q+1.
What are the key properties of 2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium?
2-(4,5-dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium has a molecular weight of 318.36 g/mol, XLogP of 3.41, 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)-2,5-diphenyltetrazol-2-ium is sourced from PubChem (CID 67359495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).