8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C9H6FN5 — CID 13385836

IUPAC8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESNc1nc2ccc(F)cc2n2cnnc12
InChIInChI=1S/C9H6FN5/c10-5-1-2-6-7(3-5)15-4-12-14-9(15)8(11)13-6/h1-4H,(H2,11,13)
InChIKeyMBAGJWFMDCWDHL-UHFFFAOYSA-N
MW203.18 g/mol
LogP1.00
Rot. Bonds

About 8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385836) has the molecular formula C9H6FN5 and a molecular weight of 203.18 g/mol. Its IUPAC name is 8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385836
Molecular FormulaC9H6FN5
Molecular Weight203.18 g/mol
Exact Mass203.06
IUPAC Name8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESNc1nc2ccc(F)cc2n2cnnc12
InChIInChI=1S/C9H6FN5/c10-5-1-2-6-7(3-5)15-4-12-14-9(15)8(11)13-6/h1-4H,(H2,11,13)
InChIKeyMBAGJWFMDCWDHL-UHFFFAOYSA-N
XLogP1.00
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 802045
4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
CID 3968241
Diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl-amine
CID 654516
N-butan-2-yl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 3583535
s-Triazolo[4,3-a]quinoline
CID 67477
4-Chloro-(1,2,3,4)tetrazolo(1,5-a)quinoxaline
CID 313636
4-Chloro[1,2,4]triazolo[4,3-a]quinoxaline
CID 1126118
Pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 10441749
4-Benzyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 46945880
1-methyl-N-propyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6621843
8-methyl-N-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 15989757
N-(4-fluorobenzyl)-8-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 15989759

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385836) is 8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Nc1nc2ccc(F)cc2n2cnnc12.
What is the InChIKey of 8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is MBAGJWFMDCWDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN5/c10-5-1-2-6-7(3-5)15-4-12-14-9(15)8(11)13-6/h1-4H,(H2,11,13).
What are the key properties of 8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 203.18 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).