4-phenyl-5-(1-phenylethyl)-2H-triazole

C16H15N3 — CID 102473636

IUPAC4-phenyl-5-(1-phenylethyl)-2H-triazole
SMILESCC(c1ccccc1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C16H15N3/c1-12(13-8-4-2-5-9-13)15-16(18-19-17-15)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,18,19)
InChIKeyNZBIVOYTJPLEKK-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.62
Rot. Bonds3

About 4-phenyl-5-(1-phenylethyl)-2H-triazole

4-phenyl-5-(1-phenylethyl)-2H-triazole (PubChem CID 102473636) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-phenyl-5-(1-phenylethyl)-2H-triazole.

Molecular Properties

Compound Name4-phenyl-5-(1-phenylethyl)-2H-triazole
PubChem CID102473636
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-phenyl-5-(1-phenylethyl)-2H-triazole
SMILESCC(c1ccccc1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C16H15N3/c1-12(13-8-4-2-5-9-13)15-16(18-19-17-15)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,18,19)
InChIKeyNZBIVOYTJPLEKK-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(1-phenylethyl)-2H-triazole?
The IUPAC name of 4-phenyl-5-(1-phenylethyl)-2H-triazole (CID 102473636) is 4-phenyl-5-(1-phenylethyl)-2H-triazole.
What is the SMILES notation for 4-phenyl-5-(1-phenylethyl)-2H-triazole?
The canonical SMILES for 4-phenyl-5-(1-phenylethyl)-2H-triazole is CC(c1ccccc1)c1n[nH]nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-(1-phenylethyl)-2H-triazole?
The InChIKey is NZBIVOYTJPLEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12(13-8-4-2-5-9-13)15-16(18-19-17-15)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,18,19).
What are the key properties of 4-phenyl-5-(1-phenylethyl)-2H-triazole?
4-phenyl-5-(1-phenylethyl)-2H-triazole has a molecular weight of 249.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(1-phenylethyl)-2H-triazole is sourced from PubChem (CID 102473636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).