4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline

C16H16N6 — CID 22432448

IUPAC4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1nnc2c(-n3nc(C)cc3C)nc3ccccc3n12
InChIInChI=1S/C16H16N6/c1-4-14-18-19-16-15(22-11(3)9-10(2)20-22)17-12-7-5-6-8-13(12)21(14)16/h5-9H,4H2,1-3H3
InChIKeyMEJJBOHOPNCVGJ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.64
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline

4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 22432448) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID22432448
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1nnc2c(-n3nc(C)cc3C)nc3ccccc3n12
InChIInChI=1S/C16H16N6/c1-4-14-18-19-16-15(22-11(3)9-10(2)20-22)17-12-7-5-6-8-13(12)21(14)16/h5-9H,4H2,1-3H3
InChIKeyMEJJBOHOPNCVGJ-UHFFFAOYSA-N
XLogP2.64
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20921368
1-ethyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22432522
3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate
CID 22090511
4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoic acid
CID 20921364
(2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol
CID 70081241
2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine
CID 125480677
(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methanamine
CID 82167293
1-[2-(3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43282141
N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989749
2-(3,5-dimethylpyrazol-1-yl)quinoline-3-carbaldehyde
CID 43122055
2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 53028752
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 22432448) is 4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline is CCc1nnc2c(-n3nc(C)cc3C)nc3ccccc3n12.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is MEJJBOHOPNCVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-4-14-18-19-16-15(22-11(3)9-10(2)20-22)17-12-7-5-6-8-13(12)21(14)16/h5-9H,4H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 292.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 22432448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).