1-[3-(tetrazol-1-yl)phenyl]tetrazole

C8H6N8 — CID 676500

IUPAC1-[3-(tetrazol-1-yl)phenyl]tetrazole
SMILESc1cc(-n2cnnn2)cc(-n2cnnn2)c1
InChIInChI=1S/C8H6N8/c1-2-7(15-5-9-11-13-15)4-8(3-1)16-6-10-12-14-16/h1-6H
InChIKeyVPTBPVRFCCEOME-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.36
Rot. Bonds2

About 1-[3-(tetrazol-1-yl)phenyl]tetrazole

1-[3-(tetrazol-1-yl)phenyl]tetrazole (PubChem CID 676500) has the molecular formula C8H6N8 and a molecular weight of 214.19 g/mol. Its IUPAC name is 1-[3-(tetrazol-1-yl)phenyl]tetrazole.

Molecular Properties

Compound Name1-[3-(tetrazol-1-yl)phenyl]tetrazole
PubChem CID676500
Molecular FormulaC8H6N8
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name1-[3-(tetrazol-1-yl)phenyl]tetrazole
SMILESc1cc(-n2cnnn2)cc(-n2cnnn2)c1
InChIInChI=1S/C8H6N8/c1-2-7(15-5-9-11-13-15)4-8(3-1)16-6-10-12-14-16/h1-6H
InChIKeyVPTBPVRFCCEOME-UHFFFAOYSA-N
XLogP-0.36
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(tetrazol-1-yl)phenyl]tetrazole?
The IUPAC name of 1-[3-(tetrazol-1-yl)phenyl]tetrazole (CID 676500) is 1-[3-(tetrazol-1-yl)phenyl]tetrazole.
What is the SMILES notation for 1-[3-(tetrazol-1-yl)phenyl]tetrazole?
The canonical SMILES for 1-[3-(tetrazol-1-yl)phenyl]tetrazole is c1cc(-n2cnnn2)cc(-n2cnnn2)c1.
What is the InChIKey of 1-[3-(tetrazol-1-yl)phenyl]tetrazole?
The InChIKey is VPTBPVRFCCEOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N8/c1-2-7(15-5-9-11-13-15)4-8(3-1)16-6-10-12-14-16/h1-6H.
What are the key properties of 1-[3-(tetrazol-1-yl)phenyl]tetrazole?
1-[3-(tetrazol-1-yl)phenyl]tetrazole has a molecular weight of 214.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tetrazol-1-yl)phenyl]tetrazole is sourced from PubChem (CID 676500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).