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

C17H15N5 — CID 20880171

IUPACN-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1cccc(Nc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C17H15N5/c1-2-12-6-5-7-13(10-12)19-16-17-21-18-11-22(17)15-9-4-3-8-14(15)20-16/h3-11H,2H2,1H3,(H,19,20)
InChIKeyLMIHKIHOTZBADP-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.58
Rot. Bonds3

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

N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 20880171) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID20880171
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC NameN-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1cccc(Nc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C17H15N5/c1-2-12-6-5-7-13(10-12)19-16-17-21-18-11-22(17)15-9-4-3-8-14(15)20-16/h3-11H,2H2,1H3,(H,19,20)
InChIKeyLMIHKIHOTZBADP-UHFFFAOYSA-N
XLogP3.58
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431320
N-[2-(4-methylphenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432202
propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate
CID 20880184
N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295767
8-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880203
N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432664
7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 10085894
N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6622885
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone
CID 22432277
4-[([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)methyl]benzoic acid
CID 20880177
1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 45106063
N-[3-(3-ethylanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 1402552

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 20880171) is N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1cccc(Nc2nc3ccccc3n3cnnc23)c1.
What is the InChIKey of N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is LMIHKIHOTZBADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-12-6-5-7-13(10-12)19-16-17-21-18-11-22(17)15-9-4-3-8-14(15)20-16/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 20880171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).