2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one

C11H10FN3O2 — CID 141445994

IUPAC2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
SMILESCOc1nc2ccc(F)c3c2n(c1=O)C(N)C3
InChIInChI=1S/C11H10FN3O2/c1-17-10-11(16)15-8(13)4-5-6(12)2-3-7(14-10)9(5)15/h2-3,8H,4,13H2,1H3
InChIKeyFNWIOAIKBIAIED-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.56
Rot. Bonds1

About 2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one

2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one (PubChem CID 141445994) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one.

Molecular Properties

Compound Name2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
PubChem CID141445994
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
SMILESCOc1nc2ccc(F)c3c2n(c1=O)C(N)C3
InChIInChI=1S/C11H10FN3O2/c1-17-10-11(16)15-8(13)4-5-6(12)2-3-7(14-10)9(5)15/h2-3,8H,4,13H2,1H3
InChIKeyFNWIOAIKBIAIED-UHFFFAOYSA-N
XLogP0.56
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The IUPAC name of 2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one (CID 141445994) is 2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one.
What is the SMILES notation for 2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The canonical SMILES for 2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one is COc1nc2ccc(F)c3c2n(c1=O)C(N)C3.
What is the InChIKey of 2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The InChIKey is FNWIOAIKBIAIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-17-10-11(16)15-8(13)4-5-6(12)2-3-7(14-10)9(5)15/h2-3,8H,4,13H2,1H3.
What are the key properties of 2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one has a molecular weight of 235.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-10-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one is sourced from PubChem (CID 141445994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).