4H-imidazo[2,1-c][1,4]benzoxazin-8-amine

C10H9N3O — CID 22060202

IUPAC4H-imidazo[2,1-c][1,4]benzoxazin-8-amine
SMILESNc1ccc2c(c1)-n1ccnc1CO2
InChIInChI=1S/C10H9N3O/c11-7-1-2-9-8(5-7)13-4-3-12-10(13)6-14-9/h1-5H,6,11H2
InChIKeyMEFVCVYICXFEEC-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.35
Rot. Bonds

About 4H-imidazo[2,1-c][1,4]benzoxazin-8-amine

4H-imidazo[2,1-c][1,4]benzoxazin-8-amine (PubChem CID 22060202) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 4H-imidazo[2,1-c][1,4]benzoxazin-8-amine.

Molecular Properties

Compound Name4H-imidazo[2,1-c][1,4]benzoxazin-8-amine
PubChem CID22060202
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name4H-imidazo[2,1-c][1,4]benzoxazin-8-amine
SMILESNc1ccc2c(c1)-n1ccnc1CO2
InChIInChI=1S/C10H9N3O/c11-7-1-2-9-8(5-7)13-4-3-12-10(13)6-14-9/h1-5H,6,11H2
InChIKeyMEFVCVYICXFEEC-UHFFFAOYSA-N
XLogP1.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4H-imidazo[2,1-c][1,4]benzoxazin-8-amine?
The IUPAC name of 4H-imidazo[2,1-c][1,4]benzoxazin-8-amine (CID 22060202) is 4H-imidazo[2,1-c][1,4]benzoxazin-8-amine.
What is the SMILES notation for 4H-imidazo[2,1-c][1,4]benzoxazin-8-amine?
The canonical SMILES for 4H-imidazo[2,1-c][1,4]benzoxazin-8-amine is Nc1ccc2c(c1)-n1ccnc1CO2.
What is the InChIKey of 4H-imidazo[2,1-c][1,4]benzoxazin-8-amine?
The InChIKey is MEFVCVYICXFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-7-1-2-9-8(5-7)13-4-3-12-10(13)6-14-9/h1-5H,6,11H2.
What are the key properties of 4H-imidazo[2,1-c][1,4]benzoxazin-8-amine?
4H-imidazo[2,1-c][1,4]benzoxazin-8-amine has a molecular weight of 187.20 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazo[2,1-c][1,4]benzoxazin-8-amine is sourced from PubChem (CID 22060202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).