2H-pyrazino[2,3-h][3]benzazepine

C12H9N3 — CID 91240707

IUPAC2H-pyrazino[2,3-h][3]benzazepine
SMILESC1=Cc2cc3c(cc2=CC=N1)N=CCN=3
InChIInChI=1S/C12H9N3/c1-3-13-4-2-10-8-12-11(7-9(1)10)14-5-6-15-12/h1-5,7-8H,6H2
InChIKeyFNQNPXKMAIUACR-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.86
Rot. Bonds

About 2H-pyrazino[2,3-h][3]benzazepine

2H-pyrazino[2,3-h][3]benzazepine (PubChem CID 91240707) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2H-pyrazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name2H-pyrazino[2,3-h][3]benzazepine
PubChem CID91240707
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name2H-pyrazino[2,3-h][3]benzazepine
SMILESC1=Cc2cc3c(cc2=CC=N1)N=CCN=3
InChIInChI=1S/C12H9N3/c1-3-13-4-2-10-8-12-11(7-9(1)10)14-5-6-15-12/h1-5,7-8H,6H2
InChIKeyFNQNPXKMAIUACR-UHFFFAOYSA-N
XLogP0.86
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrazino[2,3-h][3]benzazepine?
The IUPAC name of 2H-pyrazino[2,3-h][3]benzazepine (CID 91240707) is 2H-pyrazino[2,3-h][3]benzazepine.
What is the SMILES notation for 2H-pyrazino[2,3-h][3]benzazepine?
The canonical SMILES for 2H-pyrazino[2,3-h][3]benzazepine is C1=Cc2cc3c(cc2=CC=N1)N=CCN=3.
What is the InChIKey of 2H-pyrazino[2,3-h][3]benzazepine?
The InChIKey is FNQNPXKMAIUACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-3-13-4-2-10-8-12-11(7-9(1)10)14-5-6-15-12/h1-5,7-8H,6H2.
What are the key properties of 2H-pyrazino[2,3-h][3]benzazepine?
2H-pyrazino[2,3-h][3]benzazepine has a molecular weight of 195.22 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrazino[2,3-h][3]benzazepine is sourced from PubChem (CID 91240707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).