ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine

C15H20FN5 — CID 170600323

IUPACethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine
SMILESCC.Cc1nc2n(n1)-c1cc(F)cc(N)c1N(C)C21CC1
InChIInChI=1S/C13H14FN5.C2H6/c1-7-16-12-13(3-4-13)18(2)11-9(15)5-8(14)6-10(11)19(12)17-7;1-2/h5-6H,3-4,15H2,1-2H3;1-2H3
InChIKeyULTMIUCANYMJHR-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.76
Rot. Bonds

About ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine

ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine (PubChem CID 170600323) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine.

Molecular Properties

Compound Nameethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine
PubChem CID170600323
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Nameethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine
SMILESCC.Cc1nc2n(n1)-c1cc(F)cc(N)c1N(C)C21CC1
InChIInChI=1S/C13H14FN5.C2H6/c1-7-16-12-13(3-4-13)18(2)11-9(15)5-8(14)6-10(11)19(12)17-7;1-2/h5-6H,3-4,15H2,1-2H3;1-2H3
InChIKeyULTMIUCANYMJHR-UHFFFAOYSA-N
XLogP2.76
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine?
The IUPAC name of ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine (CID 170600323) is ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine.
What is the SMILES notation for ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine?
The canonical SMILES for ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine is CC.Cc1nc2n(n1)-c1cc(F)cc(N)c1N(C)C21CC1.
What is the InChIKey of ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine?
The InChIKey is ULTMIUCANYMJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5.C2H6/c1-7-16-12-13(3-4-13)18(2)11-9(15)5-8(14)6-10(11)19(12)17-7;1-2/h5-6H,3-4,15H2,1-2H3;1-2H3.
What are the key properties of ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine?
ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine has a molecular weight of 289.36 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine is sourced from PubChem (CID 170600323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).