5H-pyrazino[2,3-b]azepine

C8H7N3 — CID 69349938

IUPAC5H-pyrazino[2,3-b]azepine
SMILESC1=CNc2nccnc2C=C1
InChIInChI=1S/C8H7N3/c1-2-4-10-8-7(3-1)9-5-6-11-8/h1-6H,(H,10,11)
InChIKeyAHKIFJNKRVQALT-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.43
Rot. Bonds

About 5H-pyrazino[2,3-b]azepine

5H-pyrazino[2,3-b]azepine (PubChem CID 69349938) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 5H-pyrazino[2,3-b]azepine.

Molecular Properties

Compound Name5H-pyrazino[2,3-b]azepine
PubChem CID69349938
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name5H-pyrazino[2,3-b]azepine
SMILESC1=CNc2nccnc2C=C1
InChIInChI=1S/C8H7N3/c1-2-4-10-8-7(3-1)9-5-6-11-8/h1-6H,(H,10,11)
InChIKeyAHKIFJNKRVQALT-UHFFFAOYSA-N
XLogP1.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrazino[2,3-b]azepine?
The IUPAC name of 5H-pyrazino[2,3-b]azepine (CID 69349938) is 5H-pyrazino[2,3-b]azepine.
What is the SMILES notation for 5H-pyrazino[2,3-b]azepine?
The canonical SMILES for 5H-pyrazino[2,3-b]azepine is C1=CNc2nccnc2C=C1.
What is the InChIKey of 5H-pyrazino[2,3-b]azepine?
The InChIKey is AHKIFJNKRVQALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-2-4-10-8-7(3-1)9-5-6-11-8/h1-6H,(H,10,11).
What are the key properties of 5H-pyrazino[2,3-b]azepine?
5H-pyrazino[2,3-b]azepine has a molecular weight of 145.16 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrazino[2,3-b]azepine is sourced from PubChem (CID 69349938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).