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

C9H6FN5 — CID 13385834

IUPAC7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESNc1nc2cc(F)ccc2n2cnnc12
InChIInChI=1S/C9H6FN5/c10-5-1-2-7-6(3-5)13-8(11)9-14-12-4-15(7)9/h1-4H,(H2,11,13)
InChIKeyKLDHLQZRLPHJPR-UHFFFAOYSA-N
MW203.18 g/mol
LogP1.00
Rot. Bonds

About 7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385834) has the molecular formula C9H6FN5 and a molecular weight of 203.18 g/mol. Its IUPAC name is 7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385834
Molecular FormulaC9H6FN5
Molecular Weight203.18 g/mol
Exact Mass203.06
IUPAC Name7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESNc1nc2cc(F)ccc2n2cnnc12
InChIInChI=1S/C9H6FN5/c10-5-1-2-7-6(3-5)13-8(11)9-14-12-4-15(7)9/h1-4H,(H2,11,13)
InChIKeyKLDHLQZRLPHJPR-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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385834) is 7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Nc1nc2cc(F)ccc2n2cnnc12.
What is the InChIKey of 7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is KLDHLQZRLPHJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN5/c10-5-1-2-7-6(3-5)13-8(11)9-14-12-4-15(7)9/h1-4H,(H2,11,13).
What are the key properties of 7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
7-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 7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).