2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine

C16H11N7 — CID 173146131

IUPAC2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ncnc(-c3ccccc3-c3nn[nH]n3)n2)cc1
InChIInChI=1S/C16H11N7/c1-2-6-11(7-3-1)14-17-10-18-15(19-14)12-8-4-5-9-13(12)16-20-22-23-21-16/h1-10H,(H,20,21,22,23)
InChIKeyWTSYATVNFVEBCW-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.39
Rot. Bonds3

About 2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine

2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine (PubChem CID 173146131) has the molecular formula C16H11N7 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine
PubChem CID173146131
Molecular FormulaC16H11N7
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ncnc(-c3ccccc3-c3nn[nH]n3)n2)cc1
InChIInChI=1S/C16H11N7/c1-2-6-11(7-3-1)14-17-10-18-15(19-14)12-8-4-5-9-13(12)16-20-22-23-21-16/h1-10H,(H,20,21,22,23)
InChIKeyWTSYATVNFVEBCW-UHFFFAOYSA-N
XLogP2.39
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole
CID 12020824
CID 158164242
CID 158164242
1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine
CID 154446110
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659
5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate
CID 172761418
2-[(3-phenyl-5-propyl-1,2,4-triazol-1-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976675
5-[2-[4-[(2-but-2-ynyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750469
potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
CID 173044434
acetic acid;2,4-diphenyl-1,3,5-triazine;ethane
CID 91591144
2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 151473661

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine (CID 173146131) is 2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ncnc(-c3ccccc3-c3nn[nH]n3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine?
The InChIKey is WTSYATVNFVEBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7/c1-2-6-11(7-3-1)14-17-10-18-15(19-14)12-8-4-5-9-13(12)16-20-22-23-21-16/h1-10H,(H,20,21,22,23).
What are the key properties of 2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine?
2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine has a molecular weight of 301.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 173146131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).