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

C10H9N5O — CID 13385807

IUPAC7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1ccc2c(c1)nc(N)c1nncn12
InChIInChI=1S/C10H9N5O/c1-16-6-2-3-8-7(4-6)13-9(11)10-14-12-5-15(8)10/h2-5H,1H3,(H2,11,13)
InChIKeyPQDMOVHFEJISKE-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.87
Rot. Bonds1

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

7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385807) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385807
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1ccc2c(c1)nc(N)c1nncn12
InChIInChI=1S/C10H9N5O/c1-16-6-2-3-8-7(4-6)13-9(11)10-14-12-5-15(8)10/h2-5H,1H3,(H2,11,13)
InChIKeyPQDMOVHFEJISKE-UHFFFAOYSA-N
XLogP0.87
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385807) is 7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is COc1ccc2c(c1)nc(N)c1nncn12.
What is the InChIKey of 7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is PQDMOVHFEJISKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-16-6-2-3-8-7(4-6)13-9(11)10-14-12-5-15(8)10/h2-5H,1H3,(H2,11,13).
What are the key properties of 7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 215.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).