2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine

C16H13N7 — CID 19911238

IUPAC2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine
SMILESc1ccc(C2=NN(c3ccccc3)N(c3ncncn3)N2)cc1
InChIInChI=1S/C16H13N7/c1-3-7-13(8-4-1)15-20-22(14-9-5-2-6-10-14)23(21-15)16-18-11-17-12-19-16/h1-12H,(H,20,21)
InChIKeyRCZOZZHWJBCMSA-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.98
Rot. Bonds3

About 2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine

2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine (PubChem CID 19911238) has the molecular formula C16H13N7 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine
PubChem CID19911238
Molecular FormulaC16H13N7
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine
SMILESc1ccc(C2=NN(c3ccccc3)N(c3ncncn3)N2)cc1
InChIInChI=1S/C16H13N7/c1-3-7-13(8-4-1)15-20-22(14-9-5-2-6-10-14)23(21-15)16-18-11-17-12-19-16/h1-12H,(H,20,21)
InChIKeyRCZOZZHWJBCMSA-UHFFFAOYSA-N
XLogP1.98
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine (CID 19911238) is 2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine is c1ccc(C2=NN(c3ccccc3)N(c3ncncn3)N2)cc1.
What is the InChIKey of 2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine?
The InChIKey is RCZOZZHWJBCMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7/c1-3-7-13(8-4-1)15-20-22(14-9-5-2-6-10-14)23(21-15)16-18-11-17-12-19-16/h1-12H,(H,20,21).
What are the key properties of 2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine?
2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine has a molecular weight of 303.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine is sourced from PubChem (CID 19911238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).