molecular nitrogen;triazine

C3H3N5 — CID 141441145

IUPACmolecular nitrogen;triazine
SMILESN#N.c1cnnnc1
InChIInChI=1S/C3H3N3.N2/c1-2-4-6-5-3-1;1-2/h1-3H;
InChIKeyWVJICNLBAJXGII-UHFFFAOYSA-N
MW109.09 g/mol
LogP-0.10
Rot. Bonds

About molecular nitrogen;triazine

molecular nitrogen;triazine (PubChem CID 141441145) has the molecular formula C3H3N5 and a molecular weight of 109.09 g/mol. Its IUPAC name is molecular nitrogen;triazine.

Molecular Properties

Compound Namemolecular nitrogen;triazine
PubChem CID141441145
Molecular FormulaC3H3N5
Molecular Weight109.09 g/mol
Exact Mass109.04
IUPAC Namemolecular nitrogen;triazine
SMILESN#N.c1cnnnc1
InChIInChI=1S/C3H3N3.N2/c1-2-4-6-5-3-1;1-2/h1-3H;
InChIKeyWVJICNLBAJXGII-UHFFFAOYSA-N
XLogP-0.10
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.09
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of molecular nitrogen;triazine?
The IUPAC name of molecular nitrogen;triazine (CID 141441145) is molecular nitrogen;triazine.
What is the SMILES notation for molecular nitrogen;triazine?
The canonical SMILES for molecular nitrogen;triazine is N#N.c1cnnnc1.
What is the InChIKey of molecular nitrogen;triazine?
The InChIKey is WVJICNLBAJXGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.N2/c1-2-4-6-5-3-1;1-2/h1-3H;.
What are the key properties of molecular nitrogen;triazine?
molecular nitrogen;triazine has a molecular weight of 109.09 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular nitrogen;triazine is sourced from PubChem (CID 141441145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).