(1-trityltetrazol-5-yl)methanamine

C21H19N5 — CID 57355261

IUPAC(1-trityltetrazol-5-yl)methanamine
SMILESNCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N5/c22-16-20-23-24-25-26(20)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16,22H2
InChIKeyIUGOPUGMYSNRTE-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.97
Rot. Bonds5

About (1-trityltetrazol-5-yl)methanamine

(1-trityltetrazol-5-yl)methanamine (PubChem CID 57355261) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is (1-trityltetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-trityltetrazol-5-yl)methanamine
PubChem CID57355261
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name(1-trityltetrazol-5-yl)methanamine
SMILESNCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N5/c22-16-20-23-24-25-26(20)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16,22H2
InChIKeyIUGOPUGMYSNRTE-UHFFFAOYSA-N
XLogP2.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.97
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 (1-trityltetrazol-5-yl)methanamine?
The IUPAC name of (1-trityltetrazol-5-yl)methanamine (CID 57355261) is (1-trityltetrazol-5-yl)methanamine.
What is the SMILES notation for (1-trityltetrazol-5-yl)methanamine?
The canonical SMILES for (1-trityltetrazol-5-yl)methanamine is NCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-trityltetrazol-5-yl)methanamine?
The InChIKey is IUGOPUGMYSNRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c22-16-20-23-24-25-26(20)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16,22H2.
What are the key properties of (1-trityltetrazol-5-yl)methanamine?
(1-trityltetrazol-5-yl)methanamine has a molecular weight of 341.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-trityltetrazol-5-yl)methanamine is sourced from PubChem (CID 57355261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).