5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole

C8H6N8 — CID 4058493

IUPAC5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
SMILESc1cc(-c2nn[nH]n2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H6N8/c1-2-5(7-9-13-14-10-7)4-6(3-1)8-11-15-16-12-8/h1-4H,(H,9,10,13,14)(H,11,12,15,16)
InChIKeyJUWKXYNFODBPTJ-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.05
Rot. Bonds2

About 5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole

5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole (PubChem CID 4058493) has the molecular formula C8H6N8 and a molecular weight of 214.19 g/mol. Its IUPAC name is 5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
PubChem CID4058493
Molecular FormulaC8H6N8
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
SMILESc1cc(-c2nn[nH]n2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H6N8/c1-2-5(7-9-13-14-10-7)4-6(3-1)8-11-15-16-12-8/h1-4H,(H,9,10,13,14)(H,11,12,15,16)
InChIKeyJUWKXYNFODBPTJ-UHFFFAOYSA-N
XLogP0.05
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Phenyl-1H-tetrazole
CID 87425
5-[3-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole
CID 706933
5-(4-Methylphenyl)-1H-tetrazole
CID 285164
5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole
CID 342565
5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole
CID 620220
5-(3-fluorophenyl)-2H-1,2,3,4-tetrazole
CID 333943
5-(2-methylphenyl)-2H-1,2,3,4-tetrazole
CID 583067
5,5'-(1,2-Phenylene)bis-1H-tetrazole
CID 788681
5-(m-Tolyl)-1H-tetrazole
CID 583308
5-(2-fluorophenyl)-1H-1,2,3,4-tetrazole
CID 596275
5-(4-Fluorophenyl)-1H-tetrazole
CID 766140
5-(4-ethylphenyl)-2H-1,2,3,4-tetrazole
CID 647221

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole (CID 4058493) is 5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole is c1cc(-c2nn[nH]n2)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole?
The InChIKey is JUWKXYNFODBPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N8/c1-2-5(7-9-13-14-10-7)4-6(3-1)8-11-15-16-12-8/h1-4H,(H,9,10,13,14)(H,11,12,15,16).
What are the key properties of 5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole?
5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole has a molecular weight of 214.19 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole is sourced from PubChem (CID 4058493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).