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

C12H13N5O — CID 142406602

IUPAC8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1cc2c(cc1C)nc(N)c1nnc(C)n12
InChIInChI=1S/C12H13N5O/c1-6-4-8-9(5-10(6)18-3)17-7(2)15-16-12(17)11(13)14-8/h4-5H,1-3H3,(H2,13,14)
InChIKeyNQBRBPODSKQVNK-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.49
Rot. Bonds1

About 8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 142406602) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID142406602
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1cc2c(cc1C)nc(N)c1nnc(C)n12
InChIInChI=1S/C12H13N5O/c1-6-4-8-9(5-10(6)18-3)17-7(2)15-16-12(17)11(13)14-8/h4-5H,1-3H3,(H2,13,14)
InChIKeyNQBRBPODSKQVNK-UHFFFAOYSA-N
XLogP1.49
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 142406602) is 8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is COc1cc2c(cc1C)nc(N)c1nnc(C)n12.
What is the InChIKey of 8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is NQBRBPODSKQVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-6-4-8-9(5-10(6)18-3)17-7(2)15-16-12(17)11(13)14-8/h4-5H,1-3H3,(H2,13,14).
What are the key properties of 8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 142406602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).