2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane

C13H13FN4O — CID 142105978

IUPAC2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane
SMILESC=C1N=C2C(=O)c3ccc(F)cc3C2=NN1N.CC
InChIInChI=1S/C11H7FN4O.C2H6/c1-5-14-10-9(15-16(5)13)8-4-6(12)2-3-7(8)11(10)17;1-2/h2-4H,1,13H2;1-2H3
InChIKeyGXNYSKCLALJXAV-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.85
Rot. Bonds

About 2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane

2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane (PubChem CID 142105978) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane.

Molecular Properties

Compound Name2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane
PubChem CID142105978
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane
SMILESC=C1N=C2C(=O)c3ccc(F)cc3C2=NN1N.CC
InChIInChI=1S/C11H7FN4O.C2H6/c1-5-14-10-9(15-16(5)13)8-4-6(12)2-3-7(8)11(10)17;1-2/h2-4H,1,13H2;1-2H3
InChIKeyGXNYSKCLALJXAV-UHFFFAOYSA-N
XLogP1.85
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane?
The IUPAC name of 2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane (CID 142105978) is 2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane.
What is the SMILES notation for 2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane?
The canonical SMILES for 2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane is C=C1N=C2C(=O)c3ccc(F)cc3C2=NN1N.CC.
What is the InChIKey of 2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane?
The InChIKey is GXNYSKCLALJXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O.C2H6/c1-5-14-10-9(15-16(5)13)8-4-6(12)2-3-7(8)11(10)17;1-2/h2-4H,1,13H2;1-2H3.
What are the key properties of 2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane?
2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane has a molecular weight of 260.27 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-3-methylideneindeno[2,3-e][1,2,4]triazin-5-one;ethane is sourced from PubChem (CID 142105978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).