N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C12H13N5O — CID 20880195

IUPACN-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOCCNc1nc2ccccc2n2cnnc12
InChIInChI=1S/C12H13N5O/c1-18-7-6-13-11-12-16-14-8-17(12)10-5-3-2-4-9(10)15-11/h2-5,8H,6-7H2,1H3,(H,13,15)
InChIKeyUGBYIKRXCNEIRB-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.34
Rot. Bonds4

About N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 20880195) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID20880195
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOCCNc1nc2ccccc2n2cnnc12
InChIInChI=1S/C12H13N5O/c1-18-7-6-13-11-12-16-14-8-17(12)10-5-3-2-4-9(10)15-11/h2-5,8H,6-7H2,1H3,(H,13,15)
InChIKeyUGBYIKRXCNEIRB-UHFFFAOYSA-N
XLogP1.34
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 20880195) is N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is COCCNc1nc2ccccc2n2cnnc12.
What is the InChIKey of N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is UGBYIKRXCNEIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-18-7-6-13-11-12-16-14-8-17(12)10-5-3-2-4-9(10)15-11/h2-5,8H,6-7H2,1H3,(H,13,15).
What are the key properties of N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 20880195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).