5-(benzhydryloxymethyl)-1H-1,2,4-triazole

C16H15N3O — CID 67882362

IUPAC5-(benzhydryloxymethyl)-1H-1,2,4-triazole
SMILESc1ccc(C(OCc2ncn[nH]2)c2ccccc2)cc1
InChIInChI=1S/C16H15N3O/c1-3-7-13(8-4-1)16(14-9-5-2-6-10-14)20-11-15-17-12-18-19-15/h1-10,12,16H,11H2,(H,17,18,19)
InChIKeyRNKGYYXFAUTHSV-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.11
Rot. Bonds5

About 5-(benzhydryloxymethyl)-1H-1,2,4-triazole

5-(benzhydryloxymethyl)-1H-1,2,4-triazole (PubChem CID 67882362) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(benzhydryloxymethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(benzhydryloxymethyl)-1H-1,2,4-triazole
PubChem CID67882362
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-(benzhydryloxymethyl)-1H-1,2,4-triazole
SMILESc1ccc(C(OCc2ncn[nH]2)c2ccccc2)cc1
InChIInChI=1S/C16H15N3O/c1-3-7-13(8-4-1)16(14-9-5-2-6-10-14)20-11-15-17-12-18-19-15/h1-10,12,16H,11H2,(H,17,18,19)
InChIKeyRNKGYYXFAUTHSV-UHFFFAOYSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzhydryloxymethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(benzhydryloxymethyl)-1H-1,2,4-triazole (CID 67882362) is 5-(benzhydryloxymethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(benzhydryloxymethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(benzhydryloxymethyl)-1H-1,2,4-triazole is c1ccc(C(OCc2ncn[nH]2)c2ccccc2)cc1.
What is the InChIKey of 5-(benzhydryloxymethyl)-1H-1,2,4-triazole?
The InChIKey is RNKGYYXFAUTHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-7-13(8-4-1)16(14-9-5-2-6-10-14)20-11-15-17-12-18-19-15/h1-10,12,16H,11H2,(H,17,18,19).
What are the key properties of 5-(benzhydryloxymethyl)-1H-1,2,4-triazole?
5-(benzhydryloxymethyl)-1H-1,2,4-triazole has a molecular weight of 265.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydryloxymethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 67882362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).