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

C14H12N6 — CID 658284

IUPAC4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1cc(C)n(-c2nc3ccccc3n3cnnc23)n1
InChIInChI=1S/C14H12N6/c1-9-7-10(2)20(18-9)13-14-17-15-8-19(14)12-6-4-3-5-11(12)16-13/h3-8H,1-2H3
InChIKeyVBMMPUSWRUWCPR-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.08
Rot. Bonds1

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

4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 658284) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID658284
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1cc(C)n(-c2nc3ccccc3n3cnnc23)n1
InChIInChI=1S/C14H12N6/c1-9-7-10(2)20(18-9)13-14-17-15-8-19(14)12-6-4-3-5-11(12)16-13/h3-8H,1-2H3
InChIKeyVBMMPUSWRUWCPR-UHFFFAOYSA-N
XLogP2.08
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.08
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)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 658284) is 4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1cc(C)n(-c2nc3ccccc3n3cnnc23)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is VBMMPUSWRUWCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-9-7-10(2)20(18-9)13-14-17-15-8-19(14)12-6-4-3-5-11(12)16-13/h3-8H,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
4-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 264.29 g/mol, XLogP of 2.08, 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)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 658284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).