2-(2-trityltetrazol-5-yl)acetamide

C22H19N5O — CID 131728059

IUPAC2-(2-trityltetrazol-5-yl)acetamide
SMILESNC(=O)Cc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H19N5O/c23-20(28)16-21-24-26-27(25-21)22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H2,23,28)
InChIKeyOAWOLNSBYZHSAH-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.54
Rot. Bonds6

About 2-(2-trityltetrazol-5-yl)acetamide

2-(2-trityltetrazol-5-yl)acetamide (PubChem CID 131728059) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(2-trityltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-trityltetrazol-5-yl)acetamide
PubChem CID131728059
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-(2-trityltetrazol-5-yl)acetamide
SMILESNC(=O)Cc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H19N5O/c23-20(28)16-21-24-26-27(25-21)22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H2,23,28)
InChIKeyOAWOLNSBYZHSAH-UHFFFAOYSA-N
XLogP2.54
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.54
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-(2-trityltetrazol-5-yl)acetamide?
The IUPAC name of 2-(2-trityltetrazol-5-yl)acetamide (CID 131728059) is 2-(2-trityltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-trityltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(2-trityltetrazol-5-yl)acetamide is NC(=O)Cc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-(2-trityltetrazol-5-yl)acetamide?
The InChIKey is OAWOLNSBYZHSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c23-20(28)16-21-24-26-27(25-21)22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H2,23,28).
What are the key properties of 2-(2-trityltetrazol-5-yl)acetamide?
2-(2-trityltetrazol-5-yl)acetamide has a molecular weight of 369.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trityltetrazol-5-yl)acetamide is sourced from PubChem (CID 131728059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).