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

C13H15N5 — CID 899295

IUPAC1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N(C)C)nc3ccccc3n12
InChIInChI=1S/C13H15N5/c1-4-11-15-16-13-12(17(2)3)14-9-7-5-6-8-10(9)18(11)13/h5-8H,4H2,1-3H3
InChIKeyKXJJKKIOVZHZQY-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.91
Rot. Bonds2

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

1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 899295) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID899295
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N(C)C)nc3ccccc3n12
InChIInChI=1S/C13H15N5/c1-4-11-15-16-13-12(17(2)3)14-9-7-5-6-8-10(9)18(11)13/h5-8H,4H2,1-3H3
InChIKeyKXJJKKIOVZHZQY-UHFFFAOYSA-N
XLogP1.91
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 899295) is 1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1nnc2c(N(C)C)nc3ccccc3n12.
What is the InChIKey of 1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is KXJJKKIOVZHZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-4-11-15-16-13-12(17(2)3)14-9-7-5-6-8-10(9)18(11)13/h5-8H,4H2,1-3H3.
What are the key properties of 1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 241.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 899295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).