2-trityltetrazol-5-amine

C20H17N5 — CID 151368620

IUPAC2-trityltetrazol-5-amine
SMILESNc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H17N5/c21-19-22-24-25(23-19)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,21,23)
InChIKeyOPYMVJMRCKPIEH-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.10
Rot. Bonds4

About 2-trityltetrazol-5-amine

2-trityltetrazol-5-amine (PubChem CID 151368620) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-trityltetrazol-5-amine.

Molecular Properties

Compound Name2-trityltetrazol-5-amine
PubChem CID151368620
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name2-trityltetrazol-5-amine
SMILESNc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H17N5/c21-19-22-24-25(23-19)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,21,23)
InChIKeyOPYMVJMRCKPIEH-UHFFFAOYSA-N
XLogP3.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-trityltetrazol-5-amine?
The IUPAC name of 2-trityltetrazol-5-amine (CID 151368620) is 2-trityltetrazol-5-amine.
What is the SMILES notation for 2-trityltetrazol-5-amine?
The canonical SMILES for 2-trityltetrazol-5-amine is Nc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-trityltetrazol-5-amine?
The InChIKey is OPYMVJMRCKPIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c21-19-22-24-25(23-19)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,21,23).
What are the key properties of 2-trityltetrazol-5-amine?
2-trityltetrazol-5-amine has a molecular weight of 327.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trityltetrazol-5-amine is sourced from PubChem (CID 151368620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).