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

C18H17N5 — CID 15989757

IUPAC8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc2nc(NCCc3ccccc3)c3nncn3c2c1
InChIInChI=1S/C18H17N5/c1-13-7-8-15-16(11-13)23-12-20-22-18(23)17(21-15)19-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,19,21)
InChIKeyIRIIEZHOIOQFCR-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.24
Rot. Bonds4

About 8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 15989757) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID15989757
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCc1ccc2nc(NCCc3ccccc3)c3nncn3c2c1
InChIInChI=1S/C18H17N5/c1-13-7-8-15-16(11-13)23-12-20-22-18(23)17(21-15)19-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,19,21)
InChIKeyIRIIEZHOIOQFCR-UHFFFAOYSA-N
XLogP3.24
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mavorixafor
CID 11256587
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Bms 345541
CID 9926054
Ldn-212854
CID 60182388
Amredobresib
CID 76072013
4(2'-Aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline
CID 9813758
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
1-Methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 399097
Eapb-0203
CID 24779760
2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
Methyl[2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethyl]amine
CID 9796523
2-({12-Methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethan-1-ol
CID 9922100

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 15989757) is 8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Cc1ccc2nc(NCCc3ccccc3)c3nncn3c2c1.
What is the InChIKey of 8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is IRIIEZHOIOQFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-13-7-8-15-16(11-13)23-12-20-22-18(23)17(21-15)19-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,19,21).
What are the key properties of 8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 15989757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).