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

C11H11N5 — CID 13385711

IUPAC1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N)nc3ccccc3n12
InChIInChI=1S/C11H11N5/c1-2-9-14-15-11-10(12)13-7-5-3-4-6-8(7)16(9)11/h3-6H,2H2,1H3,(H2,12,13)
InChIKeyOCIBVLGWPDAOAZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.42
Rot. Bonds1

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

1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385711) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385711
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N)nc3ccccc3n12
InChIInChI=1S/C11H11N5/c1-2-9-14-15-11-10(12)13-7-5-3-4-6-8(7)16(9)11/h3-6H,2H2,1H3,(H2,12,13)
InChIKeyOCIBVLGWPDAOAZ-UHFFFAOYSA-N
XLogP1.42
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385711) is 1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1nnc2c(N)nc3ccccc3n12.
What is the InChIKey of 1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is OCIBVLGWPDAOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-2-9-14-15-11-10(12)13-7-5-3-4-6-8(7)16(9)11/h3-6H,2H2,1H3,(H2,12,13).
What are the key properties of 1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 213.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).