1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C12H13N5 — CID 13385712

IUPAC1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(NC)nc3ccccc3n12
InChIInChI=1S/C12H13N5/c1-3-10-15-16-12-11(13-2)14-8-6-4-5-7-9(8)17(10)12/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyMRUIYPXWAQFKJX-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.88
Rot. Bonds2

About 1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385712) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385712
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(NC)nc3ccccc3n12
InChIInChI=1S/C12H13N5/c1-3-10-15-16-12-11(13-2)14-8-6-4-5-7-9(8)17(10)12/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyMRUIYPXWAQFKJX-UHFFFAOYSA-N
XLogP1.88
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385712) is 1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1nnc2c(NC)nc3ccccc3n12.
What is the InChIKey of 1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is MRUIYPXWAQFKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-3-10-15-16-12-11(13-2)14-8-6-4-5-7-9(8)17(10)12/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).