5H-tetrazino[5,6-c]diazonine

C7H6N6 — CID 68543155

IUPAC5H-tetrazino[5,6-c]diazonine
SMILESc1ccn[nH]c2nnnnc2cc1
InChIInChI=1S/C7H6N6/c1-2-4-6-7(10-8-5-3-1)11-13-12-9-6/h1-5H,(H,10,11,12)/b3-1-,4-2-,8-5-
InChIKeyYNIOSBRRNRNWIG-LHJMYTASSA-N
MW174.17 g/mol
LogP0.27
Rot. Bonds

About 5H-tetrazino[5,6-c]diazonine

5H-tetrazino[5,6-c]diazonine (PubChem CID 68543155) has the molecular formula C7H6N6 and a molecular weight of 174.17 g/mol. Its IUPAC name is 5H-tetrazino[5,6-c]diazonine.

Molecular Properties

Compound Name5H-tetrazino[5,6-c]diazonine
PubChem CID68543155
Molecular FormulaC7H6N6
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name5H-tetrazino[5,6-c]diazonine
SMILESc1ccn[nH]c2nnnnc2cc1
InChIInChI=1S/C7H6N6/c1-2-4-6-7(10-8-5-3-1)11-13-12-9-6/h1-5H,(H,10,11,12)/b3-1-,4-2-,8-5-
InChIKeyYNIOSBRRNRNWIG-LHJMYTASSA-N
XLogP0.27
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5H-tetrazino[5,6-c]diazonine?
The IUPAC name of 5H-tetrazino[5,6-c]diazonine (CID 68543155) is 5H-tetrazino[5,6-c]diazonine.
What is the SMILES notation for 5H-tetrazino[5,6-c]diazonine?
The canonical SMILES for 5H-tetrazino[5,6-c]diazonine is c1ccn[nH]c2nnnnc2cc1.
What is the InChIKey of 5H-tetrazino[5,6-c]diazonine?
The InChIKey is YNIOSBRRNRNWIG-LHJMYTASSA-N. The full InChI is InChI=1S/C7H6N6/c1-2-4-6-7(10-8-5-3-1)11-13-12-9-6/h1-5H,(H,10,11,12)/b3-1-,4-2-,8-5-.
What are the key properties of 5H-tetrazino[5,6-c]diazonine?
5H-tetrazino[5,6-c]diazonine has a molecular weight of 174.17 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-tetrazino[5,6-c]diazonine is sourced from PubChem (CID 68543155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).