5-benzyl-2-phenyl-1,2,4,3-triazaphosphole

C14H12N3P — CID 71391893

IUPAC5-benzyl-2-phenyl-1,2,4,3-triazaphosphole
SMILESc1ccc(Cc2npn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H12N3P/c1-3-7-12(8-4-1)11-14-15-17(18-16-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeySZEUYSZOVZSHTC-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.44
Rot. Bonds3

About 5-benzyl-2-phenyl-1,2,4,3-triazaphosphole

5-benzyl-2-phenyl-1,2,4,3-triazaphosphole (PubChem CID 71391893) has the molecular formula C14H12N3P and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-benzyl-2-phenyl-1,2,4,3-triazaphosphole.

Molecular Properties

Compound Name5-benzyl-2-phenyl-1,2,4,3-triazaphosphole
PubChem CID71391893
Molecular FormulaC14H12N3P
Molecular Weight253.25 g/mol
Exact Mass253.08
IUPAC Name5-benzyl-2-phenyl-1,2,4,3-triazaphosphole
SMILESc1ccc(Cc2npn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H12N3P/c1-3-7-12(8-4-1)11-14-15-17(18-16-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeySZEUYSZOVZSHTC-UHFFFAOYSA-N
XLogP3.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-phenyl-1,2,4,3-triazaphosphole?
The IUPAC name of 5-benzyl-2-phenyl-1,2,4,3-triazaphosphole (CID 71391893) is 5-benzyl-2-phenyl-1,2,4,3-triazaphosphole.
What is the SMILES notation for 5-benzyl-2-phenyl-1,2,4,3-triazaphosphole?
The canonical SMILES for 5-benzyl-2-phenyl-1,2,4,3-triazaphosphole is c1ccc(Cc2npn(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-benzyl-2-phenyl-1,2,4,3-triazaphosphole?
The InChIKey is SZEUYSZOVZSHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3P/c1-3-7-12(8-4-1)11-14-15-17(18-16-14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 5-benzyl-2-phenyl-1,2,4,3-triazaphosphole?
5-benzyl-2-phenyl-1,2,4,3-triazaphosphole has a molecular weight of 253.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-phenyl-1,2,4,3-triazaphosphole is sourced from PubChem (CID 71391893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).