tetrazino[5,6-c]diazecine

C8H6N6 — CID 68546158

IUPACtetrazino[5,6-c]diazecine
SMILESc1cccc2nnnnc2nncc1
InChIInChI=1S/C8H6N6/c1-2-4-6-9-11-8-7(5-3-1)10-13-14-12-8/h1-6H/b2-1-,3-1+,4-2-,5-3+,6-4-,7-5+,9-6+,11-8+,11-9+
InChIKeyOOXDVTKYNNGTEZ-GFZVGYKRSA-N
MW186.18 g/mol
LogP0.33
Rot. Bonds

About tetrazino[5,6-c]diazecine

tetrazino[5,6-c]diazecine (PubChem CID 68546158) has the molecular formula C8H6N6 and a molecular weight of 186.18 g/mol. Its IUPAC name is tetrazino[5,6-c]diazecine.

Molecular Properties

Compound Nametetrazino[5,6-c]diazecine
PubChem CID68546158
Molecular FormulaC8H6N6
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Nametetrazino[5,6-c]diazecine
SMILESc1cccc2nnnnc2nncc1
InChIInChI=1S/C8H6N6/c1-2-4-6-9-11-8-7(5-3-1)10-13-14-12-8/h1-6H/b2-1-,3-1+,4-2-,5-3+,6-4-,7-5+,9-6+,11-8+,11-9+
InChIKeyOOXDVTKYNNGTEZ-GFZVGYKRSA-N
XLogP0.33
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Triazolo[4,5-c]diazepine
CID 70306848
Tetrazino[5,6-d]triazecine
CID 68540950
5H-tetrazino[5,6-c]diazonine
CID 68543155
Tetrazino[5,6-e]tetrazecine
CID 68544251
6H-tetrazino[5,6-d]triazonine
CID 68546858
2-Pyridazin-3-ylbenzotriazole
CID 101799462

Frequently Asked Questions

What is the IUPAC name of tetrazino[5,6-c]diazecine?
The IUPAC name of tetrazino[5,6-c]diazecine (CID 68546158) is tetrazino[5,6-c]diazecine.
What is the SMILES notation for tetrazino[5,6-c]diazecine?
The canonical SMILES for tetrazino[5,6-c]diazecine is c1cccc2nnnnc2nncc1.
What is the InChIKey of tetrazino[5,6-c]diazecine?
The InChIKey is OOXDVTKYNNGTEZ-GFZVGYKRSA-N. The full InChI is InChI=1S/C8H6N6/c1-2-4-6-9-11-8-7(5-3-1)10-13-14-12-8/h1-6H/b2-1-,3-1+,4-2-,5-3+,6-4-,7-5+,9-6+,11-8+,11-9+.
What are the key properties of tetrazino[5,6-c]diazecine?
tetrazino[5,6-c]diazecine has a molecular weight of 186.18 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazino[5,6-c]diazecine is sourced from PubChem (CID 68546158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).