tetrazino[5,6-e]tetrazecine

C6H4N8 — CID 68544251

IUPACtetrazino[5,6-e]tetrazecine
SMILESc1ccc2nnnnc2nnnnc1
InChIInChI=1S/C6H4N8/c1-2-4-7-11-13-9-6-5(3-1)8-12-14-10-6/h1-4H/b2-1+,3-1+,4-2-,5-3+,7-4-,9-6+,11-7-,13-9+,13-11+
InChIKeyRTNRIFOAQPEQPM-KWIPHLONSA-N
MW188.15 g/mol
LogP-0.88
Rot. Bonds

About tetrazino[5,6-e]tetrazecine

tetrazino[5,6-e]tetrazecine (PubChem CID 68544251) has the molecular formula C6H4N8 and a molecular weight of 188.15 g/mol. Its IUPAC name is tetrazino[5,6-e]tetrazecine.

Molecular Properties

Compound Nametetrazino[5,6-e]tetrazecine
PubChem CID68544251
Molecular FormulaC6H4N8
Molecular Weight188.15 g/mol
Exact Mass188.06
IUPAC Nametetrazino[5,6-e]tetrazecine
SMILESc1ccc2nnnnc2nnnnc1
InChIInChI=1S/C6H4N8/c1-2-4-7-11-13-9-6-5(3-1)8-12-14-10-6/h1-4H/b2-1+,3-1+,4-2-,5-3+,7-4-,9-6+,11-7-,13-9+,13-11+
InChIKeyRTNRIFOAQPEQPM-KWIPHLONSA-N
XLogP-0.88
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tetrazino[5,6-e]tetrazecine?
The IUPAC name of tetrazino[5,6-e]tetrazecine (CID 68544251) is tetrazino[5,6-e]tetrazecine.
What is the SMILES notation for tetrazino[5,6-e]tetrazecine?
The canonical SMILES for tetrazino[5,6-e]tetrazecine is c1ccc2nnnnc2nnnnc1.
What is the InChIKey of tetrazino[5,6-e]tetrazecine?
The InChIKey is RTNRIFOAQPEQPM-KWIPHLONSA-N. The full InChI is InChI=1S/C6H4N8/c1-2-4-7-11-13-9-6-5(3-1)8-12-14-10-6/h1-4H/b2-1+,3-1+,4-2-,5-3+,7-4-,9-6+,11-7-,13-9+,13-11+.
What are the key properties of tetrazino[5,6-e]tetrazecine?
tetrazino[5,6-e]tetrazecine has a molecular weight of 188.15 g/mol, XLogP of -0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazino[5,6-e]tetrazecine is sourced from PubChem (CID 68544251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).