triazine azide

C3H3N6- — CID 159700489

IUPACtriazine azide
SMILES[N-]=[N+]=[N-].c1cnnnc1
InChIInChI=1S/C3H3N3.N3/c1-2-4-6-5-3-1;1-3-2/h1-3H;/q;-1
InChIKeyMXOCNCZROYMYMS-UHFFFAOYSA-N
MW123.10 g/mol
LogP0.74
Rot. Bonds

About triazine azide

triazine azide (PubChem CID 159700489) has the molecular formula C3H3N6- and a molecular weight of 123.10 g/mol. Its IUPAC name is triazine azide.

Molecular Properties

Compound Nametriazine azide
PubChem CID159700489
Molecular FormulaC3H3N6-
Molecular Weight123.10 g/mol
Exact Mass123.04
IUPAC Nametriazine azide
SMILES[N-]=[N+]=[N-].c1cnnnc1
InChIInChI=1S/C3H3N3.N3/c1-2-4-6-5-3-1;1-3-2/h1-3H;/q;-1
InChIKeyMXOCNCZROYMYMS-UHFFFAOYSA-N
XLogP0.74
TPSA97.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.10
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triazine azide?
The IUPAC name of triazine azide (CID 159700489) is triazine azide.
What is the SMILES notation for triazine azide?
The canonical SMILES for triazine azide is [N-]=[N+]=[N-].c1cnnnc1.
What is the InChIKey of triazine azide?
The InChIKey is MXOCNCZROYMYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.N3/c1-2-4-6-5-3-1;1-3-2/h1-3H;/q;-1.
What are the key properties of triazine azide?
triazine azide has a molecular weight of 123.10 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triazine azide is sourced from PubChem (CID 159700489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).