tetrazino[5,6-d]triazecine

C7H5N7 — CID 68540950

IUPACtetrazino[5,6-d]triazecine
SMILESc1ccnnnc2nnnnc2cc1
InChIInChI=1S/C7H5N7/c1-2-4-6-7(11-14-13-9-6)10-12-8-5-3-1/h1-5H/b2-1+,3-1-,4-2+,5-3-,6-4+,8-5-,10-7+,12-8+,12-10+
InChIKeyTYOWTPCADLAVRO-PITGEGHHSA-N
MW187.17 g/mol
LogP-0.27
Rot. Bonds

About tetrazino[5,6-d]triazecine

tetrazino[5,6-d]triazecine (PubChem CID 68540950) has the molecular formula C7H5N7 and a molecular weight of 187.17 g/mol. Its IUPAC name is tetrazino[5,6-d]triazecine.

Molecular Properties

Compound Nametetrazino[5,6-d]triazecine
PubChem CID68540950
Molecular FormulaC7H5N7
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Nametetrazino[5,6-d]triazecine
SMILESc1ccnnnc2nnnnc2cc1
InChIInChI=1S/C7H5N7/c1-2-4-6-7(11-14-13-9-6)10-12-8-5-3-1/h1-5H/b2-1+,3-1-,4-2+,5-3-,6-4+,8-5-,10-7+,12-8+,12-10+
InChIKeyTYOWTPCADLAVRO-PITGEGHHSA-N
XLogP-0.27
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tetrazino[5,6-d]triazecine?
The IUPAC name of tetrazino[5,6-d]triazecine (CID 68540950) is tetrazino[5,6-d]triazecine.
What is the SMILES notation for tetrazino[5,6-d]triazecine?
The canonical SMILES for tetrazino[5,6-d]triazecine is c1ccnnnc2nnnnc2cc1.
What is the InChIKey of tetrazino[5,6-d]triazecine?
The InChIKey is TYOWTPCADLAVRO-PITGEGHHSA-N. The full InChI is InChI=1S/C7H5N7/c1-2-4-6-7(11-14-13-9-6)10-12-8-5-3-1/h1-5H/b2-1+,3-1-,4-2+,5-3-,6-4+,8-5-,10-7+,12-8+,12-10+.
What are the key properties of tetrazino[5,6-d]triazecine?
tetrazino[5,6-d]triazecine has a molecular weight of 187.17 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazino[5,6-d]triazecine is sourced from PubChem (CID 68540950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).