5-methyl-2,3-diphenyltetrazol-2-ium chloride

C14H13ClN4 — CID 13010650

IUPAC5-methyl-2,3-diphenyltetrazol-2-ium chloride
SMILESCc1nn(-c2ccccc2)[n+](-c2ccccc2)n1.[Cl-]
InChIInChI=1S/C14H13N4.ClH/c1-12-15-17(13-8-4-2-5-9-13)18(16-12)14-10-6-3-7-11-14;/h2-11H,1H3;1H/q+1;/p-1
InChIKeyDNLGEYNSADNPQS-UHFFFAOYSA-M
MW272.74 g/mol
LogP-1.14
Rot. Bonds2

About 5-methyl-2,3-diphenyltetrazol-2-ium chloride

5-methyl-2,3-diphenyltetrazol-2-ium chloride (PubChem CID 13010650) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-methyl-2,3-diphenyltetrazol-2-ium chloride.

Molecular Properties

Compound Name5-methyl-2,3-diphenyltetrazol-2-ium chloride
PubChem CID13010650
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name5-methyl-2,3-diphenyltetrazol-2-ium chloride
SMILESCc1nn(-c2ccccc2)[n+](-c2ccccc2)n1.[Cl-]
InChIInChI=1S/C14H13N4.ClH/c1-12-15-17(13-8-4-2-5-9-13)18(16-12)14-10-6-3-7-11-14;/h2-11H,1H3;1H/q+1;/p-1
InChIKeyDNLGEYNSADNPQS-UHFFFAOYSA-M
XLogP-1.14
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 5-1.14
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

2,3,5-triphenyltetrazol-2-ium;chloride;hydrate
CID 23288416
dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride
CID 155317226
5-hexyl-2,3-diphenyltetrazol-2-ium chloride
CID 15115086
5-butyl-2,3-diphenyltetrazol-2-ium
CID 2916216
2,3-diphenyl-5-thiophen-2-yltetrazol-2-ium
CID 563279
2,3-diphenyl-5-thiophen-3-yltetrazol-2-ium
CID 22950688
5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium
CID 74007022
2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium
CID 44630123
2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium
CID 155701941
5-(4-ethoxyphenyl)-2,3-bis(4-methylphenyl)tetrazol-2-ium chloride
CID 69439535
2-[3-[3-(3,5-diphenyltetrazol-2-ium-2-yl)-2-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium dichloride
CID 2723606
2,3-diphenyltetrazol-2-ium perchlorate
CID 53384463

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-diphenyltetrazol-2-ium chloride?
The IUPAC name of 5-methyl-2,3-diphenyltetrazol-2-ium chloride (CID 13010650) is 5-methyl-2,3-diphenyltetrazol-2-ium chloride.
What is the SMILES notation for 5-methyl-2,3-diphenyltetrazol-2-ium chloride?
The canonical SMILES for 5-methyl-2,3-diphenyltetrazol-2-ium chloride is Cc1nn(-c2ccccc2)[n+](-c2ccccc2)n1.[Cl-].
What is the InChIKey of 5-methyl-2,3-diphenyltetrazol-2-ium chloride?
The InChIKey is DNLGEYNSADNPQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13N4.ClH/c1-12-15-17(13-8-4-2-5-9-13)18(16-12)14-10-6-3-7-11-14;/h2-11H,1H3;1H/q+1;/p-1.
What are the key properties of 5-methyl-2,3-diphenyltetrazol-2-ium chloride?
5-methyl-2,3-diphenyltetrazol-2-ium chloride has a molecular weight of 272.74 g/mol, XLogP of -1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-diphenyltetrazol-2-ium chloride is sourced from PubChem (CID 13010650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).