8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine

C13H9N5O — CID 18670509

IUPAC8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine
SMILESc1cn(-c2ccc3c(c2)Nc2nccnc2O3)cn1
InChIInChI=1S/C13H9N5O/c1-2-11-10(7-9(1)18-6-5-14-8-18)17-12-13(19-11)16-4-3-15-12/h1-8H,(H,15,17)
InChIKeyXPOGKXKYUYXFTD-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.51
Rot. Bonds1

About 8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine

8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine (PubChem CID 18670509) has the molecular formula C13H9N5O and a molecular weight of 251.25 g/mol. Its IUPAC name is 8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine
PubChem CID18670509
Molecular FormulaC13H9N5O
Molecular Weight251.25 g/mol
Exact Mass251.08
IUPAC Name8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine
SMILESc1cn(-c2ccc3c(c2)Nc2nccnc2O3)cn1
InChIInChI=1S/C13H9N5O/c1-2-11-10(7-9(1)18-6-5-14-8-18)17-12-13(19-11)16-4-3-15-12/h1-8H,(H,15,17)
InChIKeyXPOGKXKYUYXFTD-UHFFFAOYSA-N
XLogP2.51
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine?
The IUPAC name of 8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine (CID 18670509) is 8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine.
What is the SMILES notation for 8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine?
The canonical SMILES for 8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine is c1cn(-c2ccc3c(c2)Nc2nccnc2O3)cn1.
What is the InChIKey of 8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine?
The InChIKey is XPOGKXKYUYXFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O/c1-2-11-10(7-9(1)18-6-5-14-8-18)17-12-13(19-11)16-4-3-15-12/h1-8H,(H,15,17).
What are the key properties of 8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine?
8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine has a molecular weight of 251.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazol-1-yl-10H-pyrazino[2,3-b][1,4]benzoxazine is sourced from PubChem (CID 18670509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).