3,4,5-triphenyl-2H-tetrazole

C19H16N4 — CID 54329627

IUPAC3,4,5-triphenyl-2H-tetrazole
SMILESc1ccc(C2=NNN(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C19H16N4/c1-4-10-16(11-5-1)19-20-21-23(18-14-8-3-9-15-18)22(19)17-12-6-2-7-13-17/h1-15,21H
InChIKeySXKNPESHSYSRCS-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.79
Rot. Bonds3

About 3,4,5-triphenyl-2H-tetrazole

3,4,5-triphenyl-2H-tetrazole (PubChem CID 54329627) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 3,4,5-triphenyl-2H-tetrazole.

Molecular Properties

Compound Name3,4,5-triphenyl-2H-tetrazole
PubChem CID54329627
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name3,4,5-triphenyl-2H-tetrazole
SMILESc1ccc(C2=NNN(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C19H16N4/c1-4-10-16(11-5-1)19-20-21-23(18-14-8-3-9-15-18)22(19)17-12-6-2-7-13-17/h1-15,21H
InChIKeySXKNPESHSYSRCS-UHFFFAOYSA-N
XLogP3.79
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triphenyl-2H-tetrazole?
The IUPAC name of 3,4,5-triphenyl-2H-tetrazole (CID 54329627) is 3,4,5-triphenyl-2H-tetrazole.
What is the SMILES notation for 3,4,5-triphenyl-2H-tetrazole?
The canonical SMILES for 3,4,5-triphenyl-2H-tetrazole is c1ccc(C2=NNN(c3ccccc3)N2c2ccccc2)cc1.
What is the InChIKey of 3,4,5-triphenyl-2H-tetrazole?
The InChIKey is SXKNPESHSYSRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-4-10-16(11-5-1)19-20-21-23(18-14-8-3-9-15-18)22(19)17-12-6-2-7-13-17/h1-15,21H.
What are the key properties of 3,4,5-triphenyl-2H-tetrazole?
3,4,5-triphenyl-2H-tetrazole has a molecular weight of 300.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triphenyl-2H-tetrazole is sourced from PubChem (CID 54329627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).