5-methyl-2-trityltetrazole

C21H18N4 — CID 10958360

IUPAC5-methyl-2-trityltetrazole
SMILESCc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H18N4/c1-17-22-24-25(23-17)21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyWQLNWWBOMKOUSO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.82
Rot. Bonds4

About 5-methyl-2-trityltetrazole

5-methyl-2-trityltetrazole (PubChem CID 10958360) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-methyl-2-trityltetrazole.

Molecular Properties

Compound Name5-methyl-2-trityltetrazole
PubChem CID10958360
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name5-methyl-2-trityltetrazole
SMILESCc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H18N4/c1-17-22-24-25(23-17)21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyWQLNWWBOMKOUSO-UHFFFAOYSA-N
XLogP3.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 5-methyl-2-trityltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-trityltetrazole?
The IUPAC name of 5-methyl-2-trityltetrazole (CID 10958360) is 5-methyl-2-trityltetrazole.
What is the SMILES notation for 5-methyl-2-trityltetrazole?
The canonical SMILES for 5-methyl-2-trityltetrazole is Cc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 5-methyl-2-trityltetrazole?
The InChIKey is WQLNWWBOMKOUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-17-22-24-25(23-17)21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3.
What are the key properties of 5-methyl-2-trityltetrazole?
5-methyl-2-trityltetrazole has a molecular weight of 326.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-trityltetrazole is sourced from PubChem (CID 10958360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).