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

C15H14N6 — CID 3968241

IUPAC4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1cc(C)n(-c2nc3ccccc3n3c(C)nnc23)n1
InChIInChI=1S/C15H14N6/c1-9-8-10(2)21(19-9)14-15-18-17-11(3)20(15)13-7-5-4-6-12(13)16-14/h4-8H,1-3H3
InChIKeySJXCOUXOHJPVAF-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.39
Rot. Bonds1

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

4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 3968241) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID3968241
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1cc(C)n(-c2nc3ccccc3n3c(C)nnc23)n1
InChIInChI=1S/C15H14N6/c1-9-8-10(2)21(19-9)14-15-18-17-11(3)20(15)13-7-5-4-6-12(13)16-14/h4-8H,1-3H3
InChIKeySJXCOUXOHJPVAF-UHFFFAOYSA-N
XLogP2.39
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 3968241) is 4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1cc(C)n(-c2nc3ccccc3n3c(C)nnc23)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is SJXCOUXOHJPVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-9-8-10(2)21(19-9)14-15-18-17-11(3)20(15)13-7-5-4-6-12(13)16-14/h4-8H,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-(3,5-dimethylpyrazol-1-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 278.32 g/mol, XLogP of 2.39, 1 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-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 3968241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).