1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine

C9H7N3O — CID 175984470

IUPAC1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine
SMILESC1=COC2C(=N1)C=Cc1nc[nH]c12
InChIInChI=1S/C9H7N3O/c1-2-7-9(13-4-3-10-7)8-6(1)11-5-12-8/h1-5,9H,(H,11,12)
InChIKeyUPLZYZXLINVQBB-UHFFFAOYSA-N
MW173.18 g/mol
LogP1.42
Rot. Bonds

About 1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine

1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine (PubChem CID 175984470) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is 1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine.

Molecular Properties

Compound Name1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine
PubChem CID175984470
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC Name1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine
SMILESC1=COC2C(=N1)C=Cc1nc[nH]c12
InChIInChI=1S/C9H7N3O/c1-2-7-9(13-4-3-10-7)8-6(1)11-5-12-8/h1-5,9H,(H,11,12)
InChIKeyUPLZYZXLINVQBB-UHFFFAOYSA-N
XLogP1.42
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine?
The IUPAC name of 1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine (CID 175984470) is 1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine.
What is the SMILES notation for 1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine?
The canonical SMILES for 1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine is C1=COC2C(=N1)C=Cc1nc[nH]c12.
What is the InChIKey of 1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine?
The InChIKey is UPLZYZXLINVQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-2-7-9(13-4-3-10-7)8-6(1)11-5-12-8/h1-5,9H,(H,11,12).
What are the key properties of 1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine?
1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine has a molecular weight of 173.18 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9a-dihydroimidazo[4,5-h][1,4]benzoxazine is sourced from PubChem (CID 175984470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).