1-(2,3-diphenylpropyl)triazole

C17H17N3 — CID 155562191

IUPAC1-(2,3-diphenylpropyl)triazole
SMILESc1ccc(CC(Cn2ccnn2)c2ccccc2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)13-17(14-20-12-11-18-19-20)16-9-5-2-6-10-16/h1-12,17H,13-14H2
InChIKeyYWURNNACEZGBDY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.30
Rot. Bonds5

About 1-(2,3-diphenylpropyl)triazole

1-(2,3-diphenylpropyl)triazole (PubChem CID 155562191) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)triazole.

Molecular Properties

Compound Name1-(2,3-diphenylpropyl)triazole
PubChem CID155562191
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-(2,3-diphenylpropyl)triazole
SMILESc1ccc(CC(Cn2ccnn2)c2ccccc2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)13-17(14-20-12-11-18-19-20)16-9-5-2-6-10-16/h1-12,17H,13-14H2
InChIKeyYWURNNACEZGBDY-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylpropyl)triazole?
The IUPAC name of 1-(2,3-diphenylpropyl)triazole (CID 155562191) is 1-(2,3-diphenylpropyl)triazole.
What is the SMILES notation for 1-(2,3-diphenylpropyl)triazole?
The canonical SMILES for 1-(2,3-diphenylpropyl)triazole is c1ccc(CC(Cn2ccnn2)c2ccccc2)cc1.
What is the InChIKey of 1-(2,3-diphenylpropyl)triazole?
The InChIKey is YWURNNACEZGBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-7-15(8-4-1)13-17(14-20-12-11-18-19-20)16-9-5-2-6-10-16/h1-12,17H,13-14H2.
What are the key properties of 1-(2,3-diphenylpropyl)triazole?
1-(2,3-diphenylpropyl)triazole has a molecular weight of 263.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylpropyl)triazole is sourced from PubChem (CID 155562191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).