1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

C21H22N6 — CID 20921368

IUPAC1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1nnc2c(N3CCN(c4ccccc4)CC3)nc3ccccc3n12
InChIInChI=1S/C21H22N6/c1-2-19-23-24-21-20(22-17-10-6-7-11-18(17)27(19)21)26-14-12-25(13-15-26)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyBZLKDQKHDACPGF-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.17
Rot. Bonds3

About 1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 20921368) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID20921368
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1nnc2c(N3CCN(c4ccccc4)CC3)nc3ccccc3n12
InChIInChI=1S/C21H22N6/c1-2-19-23-24-21-20(22-17-10-6-7-11-18(17)27(19)21)26-14-12-25(13-15-26)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyBZLKDQKHDACPGF-UHFFFAOYSA-N
XLogP3.17
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22432448
3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid
CID 45030912
3-ethyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 20927487
N-butyl-3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanamide
CID 50832893
4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoic acid
CID 20921364
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 1325761
7-(4-phenylpiperazin-1-yl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10853821
4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline
CID 20889100
(2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol
CID 70081241
1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 838791
1-ethyl-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 53061600
1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22432522

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 20921368) is 1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is CCc1nnc2c(N3CCN(c4ccccc4)CC3)nc3ccccc3n12.
What is the InChIKey of 1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is BZLKDQKHDACPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-2-19-23-24-21-20(22-17-10-6-7-11-18(17)27(19)21)26-14-12-25(13-15-26)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of 1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 358.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 20921368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).