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

C12H13N5O — CID 13385828

IUPAC1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N)nc3cc(OC)ccc3n12
InChIInChI=1S/C12H13N5O/c1-3-10-15-16-12-11(13)14-8-6-7(18-2)4-5-9(8)17(10)12/h4-6H,3H2,1-2H3,(H2,13,14)
InChIKeyBKXFREWVIYPFIN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.43
Rot. Bonds2

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

1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385828) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385828
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N)nc3cc(OC)ccc3n12
InChIInChI=1S/C12H13N5O/c1-3-10-15-16-12-11(13)14-8-6-7(18-2)4-5-9(8)17(10)12/h4-6H,3H2,1-2H3,(H2,13,14)
InChIKeyBKXFREWVIYPFIN-UHFFFAOYSA-N
XLogP1.43
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385828) is 1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1nnc2c(N)nc3cc(OC)ccc3n12.
What is the InChIKey of 1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is BKXFREWVIYPFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-3-10-15-16-12-11(13)14-8-6-7(18-2)4-5-9(8)17(10)12/h4-6H,3H2,1-2H3,(H2,13,14).
What are the key properties of 1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).