2-(azet-2-yl)azete

C6H4N2 — CID 91373211

IUPAC2-(azet-2-yl)azete
SMILESC1=CC(C2=NC=C2)=N1
InChIInChI=1S/C6H4N2/c1-3-7-5(1)6-2-4-8-6/h1-4H
InChIKeyRPKZVEUNJSYSHC-UHFFFAOYSA-N
MW104.11 g/mol
LogP0.92
Rot. Bonds1

About 2-(azet-2-yl)azete

2-(azet-2-yl)azete (PubChem CID 91373211) has the molecular formula C6H4N2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-(azet-2-yl)azete.

Molecular Properties

Compound Name2-(azet-2-yl)azete
PubChem CID91373211
Molecular FormulaC6H4N2
Molecular Weight104.11 g/mol
Exact Mass104.04
IUPAC Name2-(azet-2-yl)azete
SMILESC1=CC(C2=NC=C2)=N1
InChIInChI=1S/C6H4N2/c1-3-7-5(1)6-2-4-8-6/h1-4H
InChIKeyRPKZVEUNJSYSHC-UHFFFAOYSA-N
XLogP0.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azet-2-yl)azete?
The IUPAC name of 2-(azet-2-yl)azete (CID 91373211) is 2-(azet-2-yl)azete.
What is the SMILES notation for 2-(azet-2-yl)azete?
The canonical SMILES for 2-(azet-2-yl)azete is C1=CC(C2=NC=C2)=N1.
What is the InChIKey of 2-(azet-2-yl)azete?
The InChIKey is RPKZVEUNJSYSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2/c1-3-7-5(1)6-2-4-8-6/h1-4H.
What are the key properties of 2-(azet-2-yl)azete?
2-(azet-2-yl)azete has a molecular weight of 104.11 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azet-2-yl)azete is sourced from PubChem (CID 91373211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).