6H-tetrazino[5,6-d]triazonine

C6H5N7 — CID 68546858

IUPAC6H-tetrazino[5,6-d]triazonine
SMILESc1ccc2nnnnc2n[nH]nc1
InChIInChI=1S/C6H5N7/c1-2-4-7-11-9-6-5(3-1)8-12-13-10-6/h1-4,11H/b2-1-,5-3+,7-4-,9-6+
InChIKeyQNOJXZOCXXBARV-KEZIDAMASA-N
MW175.16 g/mol
LogP-0.34
Rot. Bonds

About 6H-tetrazino[5,6-d]triazonine

6H-tetrazino[5,6-d]triazonine (PubChem CID 68546858) has the molecular formula C6H5N7 and a molecular weight of 175.16 g/mol. Its IUPAC name is 6H-tetrazino[5,6-d]triazonine.

Molecular Properties

Compound Name6H-tetrazino[5,6-d]triazonine
PubChem CID68546858
Molecular FormulaC6H5N7
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name6H-tetrazino[5,6-d]triazonine
SMILESc1ccc2nnnnc2n[nH]nc1
InChIInChI=1S/C6H5N7/c1-2-4-7-11-9-6-5(3-1)8-12-13-10-6/h1-4,11H/b2-1-,5-3+,7-4-,9-6+
InChIKeyQNOJXZOCXXBARV-KEZIDAMASA-N
XLogP-0.34
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6H-tetrazino[5,6-d]triazonine?
The IUPAC name of 6H-tetrazino[5,6-d]triazonine (CID 68546858) is 6H-tetrazino[5,6-d]triazonine.
What is the SMILES notation for 6H-tetrazino[5,6-d]triazonine?
The canonical SMILES for 6H-tetrazino[5,6-d]triazonine is c1ccc2nnnnc2n[nH]nc1.
What is the InChIKey of 6H-tetrazino[5,6-d]triazonine?
The InChIKey is QNOJXZOCXXBARV-KEZIDAMASA-N. The full InChI is InChI=1S/C6H5N7/c1-2-4-7-11-9-6-5(3-1)8-12-13-10-6/h1-4,11H/b2-1-,5-3+,7-4-,9-6+.
What are the key properties of 6H-tetrazino[5,6-d]triazonine?
6H-tetrazino[5,6-d]triazonine has a molecular weight of 175.16 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-tetrazino[5,6-d]triazonine is sourced from PubChem (CID 68546858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).