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

C11H10FN5 — CID 14783675

IUPAC8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCN(C)c1nc2ccc(F)cc2n2cnnc12
InChIInChI=1S/C11H10FN5/c1-16(2)10-11-15-13-6-17(11)9-5-7(12)3-4-8(9)14-10/h3-6H,1-2H3
InChIKeyDVBUBNIHRHZTPI-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.48
Rot. Bonds1

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

8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 14783675) has the molecular formula C11H10FN5 and a molecular weight of 231.23 g/mol. Its IUPAC name is 8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID14783675
Molecular FormulaC11H10FN5
Molecular Weight231.23 g/mol
Exact Mass231.09
IUPAC Name8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCN(C)c1nc2ccc(F)cc2n2cnnc12
InChIInChI=1S/C11H10FN5/c1-16(2)10-11-15-13-6-17(11)9-5-7(12)3-4-8(9)14-10/h3-6H,1-2H3
InChIKeyDVBUBNIHRHZTPI-UHFFFAOYSA-N
XLogP1.48
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 14783675) is 8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CN(C)c1nc2ccc(F)cc2n2cnnc12.
What is the InChIKey of 8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is DVBUBNIHRHZTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5/c1-16(2)10-11-15-13-6-17(11)9-5-7(12)3-4-8(9)14-10/h3-6H,1-2H3.
What are the key properties of 8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 231.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 14783675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).