2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one

C13H11FN6O3 — CID 156642714

IUPAC2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one
SMILESCOc1cc2nc(-c3cc/c(=N/N)n(N)n3)oc(=O)c2cc1F
InChIInChI=1S/C13H11FN6O3/c1-22-10-5-9-6(4-7(10)14)13(21)23-12(17-9)8-2-3-11(18-15)20(16)19-8/h2-5H,15-16H2,1H3/b18-11-
InChIKeyOKVFVNWCRHMXFN-WQRHYEAKSA-N
MW318.27 g/mol
LogP-0.31
Rot. Bonds2

About 2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one

2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one (PubChem CID 156642714) has the molecular formula C13H11FN6O3 and a molecular weight of 318.27 g/mol. Its IUPAC name is 2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one
PubChem CID156642714
Molecular FormulaC13H11FN6O3
Molecular Weight318.27 g/mol
Exact Mass318.09
IUPAC Name2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one
SMILESCOc1cc2nc(-c3cc/c(=N/N)n(N)n3)oc(=O)c2cc1F
InChIInChI=1S/C13H11FN6O3/c1-22-10-5-9-6(4-7(10)14)13(21)23-12(17-9)8-2-3-11(18-15)20(16)19-8/h2-5H,15-16H2,1H3/b18-11-
InChIKeyOKVFVNWCRHMXFN-WQRHYEAKSA-N
XLogP-0.31
TPSA134.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one?
The IUPAC name of 2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one (CID 156642714) is 2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one is COc1cc2nc(-c3cc/c(=N/N)n(N)n3)oc(=O)c2cc1F.
What is the InChIKey of 2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one?
The InChIKey is OKVFVNWCRHMXFN-WQRHYEAKSA-N. The full InChI is InChI=1S/C13H11FN6O3/c1-22-10-5-9-6(4-7(10)14)13(21)23-12(17-9)8-2-3-11(18-15)20(16)19-8/h2-5H,15-16H2,1H3/b18-11-.
What are the key properties of 2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one?
2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one has a molecular weight of 318.27 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6Z)-1-amino-6-hydrazinylidenepyridazin-3-yl]-6-fluoro-7-methoxy-3,1-benzoxazin-4-one is sourced from PubChem (CID 156642714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).