3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine

C9H9N3O — CID 89456310

IUPAC3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine
SMILESc1nc2c3c(ccc2[nH]1)OCCN3
InChIInChI=1S/C9H9N3O/c1-2-7-9(10-3-4-13-7)8-6(1)11-5-12-8/h1-2,5,10H,3-4H2,(H,11,12)
InChIKeySSQIKIXSMIIICU-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.37
Rot. Bonds

About 3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine

3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine (PubChem CID 89456310) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine.

Molecular Properties

Compound Name3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine
PubChem CID89456310
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine
SMILESc1nc2c3c(ccc2[nH]1)OCCN3
InChIInChI=1S/C9H9N3O/c1-2-7-9(10-3-4-13-7)8-6(1)11-5-12-8/h1-2,5,10H,3-4H2,(H,11,12)
InChIKeySSQIKIXSMIIICU-UHFFFAOYSA-N
XLogP1.37
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine?
The IUPAC name of 3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine (CID 89456310) is 3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine.
What is the SMILES notation for 3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine?
The canonical SMILES for 3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine is c1nc2c3c(ccc2[nH]1)OCCN3.
What is the InChIKey of 3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine?
The InChIKey is SSQIKIXSMIIICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-7-9(10-3-4-13-7)8-6(1)11-5-12-8/h1-2,5,10H,3-4H2,(H,11,12).
What are the key properties of 3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine?
3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine has a molecular weight of 175.19 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine is sourced from PubChem (CID 89456310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).