1-trityltetrazole

C20H16N4 — CID 15501109

IUPAC1-trityltetrazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C20H16N4/c1-4-10-17(11-5-1)20(24-16-21-22-23-24,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeyVZYQAJHQPQELEJ-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.51
Rot. Bonds4

About 1-trityltetrazole

1-trityltetrazole (PubChem CID 15501109) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-trityltetrazole.

Molecular Properties

Compound Name1-trityltetrazole
PubChem CID15501109
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name1-trityltetrazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C20H16N4/c1-4-10-17(11-5-1)20(24-16-21-22-23-24,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeyVZYQAJHQPQELEJ-UHFFFAOYSA-N
XLogP3.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-trityltetrazole?
The IUPAC name of 1-trityltetrazole (CID 15501109) is 1-trityltetrazole.
What is the SMILES notation for 1-trityltetrazole?
The canonical SMILES for 1-trityltetrazole is c1ccc(C(c2ccccc2)(c2ccccc2)n2cnnn2)cc1.
What is the InChIKey of 1-trityltetrazole?
The InChIKey is VZYQAJHQPQELEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-4-10-17(11-5-1)20(24-16-21-22-23-24,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 1-trityltetrazole?
1-trityltetrazole has a molecular weight of 312.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trityltetrazole is sourced from PubChem (CID 15501109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).