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

C17H15N5 — CID 5295767

IUPACN-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESc1ccc(CCNc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C17H15N5/c1-2-6-13(7-3-1)10-11-18-16-17-21-19-12-22(17)15-9-5-4-8-14(15)20-16/h1-9,12H,10-11H2,(H,18,20)
InChIKeyRFDYKUAMPVKIDL-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.93
Rot. Bonds4

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

N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 5295767) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID5295767
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESc1ccc(CCNc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C17H15N5/c1-2-6-13(7-3-1)10-11-18-16-17-21-19-12-22(17)15-9-5-4-8-14(15)20-16/h1-9,12H,10-11H2,(H,18,20)
InChIKeyRFDYKUAMPVKIDL-UHFFFAOYSA-N
XLogP2.93
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6622885
8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431418
4-[([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)methyl]benzoic acid
CID 20880177
N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5309921
N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880171
N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide
CID 22432514
phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone
CID 20921326
N-[2-(4-methylphenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432202
N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432664
N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431320
4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 6460812
[4-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
CID 22431463

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 5295767) is N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is c1ccc(CCNc2nc3ccccc3n3cnnc23)cc1.
What is the InChIKey of N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is RFDYKUAMPVKIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-6-13(7-3-1)10-11-18-16-17-21-19-12-22(17)15-9-5-4-8-14(15)20-16/h1-9,12H,10-11H2,(H,18,20).
What are the key properties of N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 5295767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).