8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

C17H21N7O — CID 163349442

IUPAC8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cnc(C)c(OC2CCN(c3nccn4c(C)nnc34)CC2)n1
InChIInChI=1S/C17H21N7O/c1-11-10-19-12(2)17(20-11)25-14-4-7-23(8-5-14)15-16-22-21-13(3)24(16)9-6-18-15/h6,9-10,14H,4-5,7-8H2,1-3H3
InChIKeyGZZOQTUPLSEDSC-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.89
Rot. Bonds3

About 8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 163349442) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID163349442
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cnc(C)c(OC2CCN(c3nccn4c(C)nnc34)CC2)n1
InChIInChI=1S/C17H21N7O/c1-11-10-19-12(2)17(20-11)25-14-4-7-23(8-5-14)15-16-22-21-13(3)24(16)9-6-18-15/h6,9-10,14H,4-5,7-8H2,1-3H3
InChIKeyGZZOQTUPLSEDSC-UHFFFAOYSA-N
XLogP1.89
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 163349442) is 8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine is Cc1cnc(C)c(OC2CCN(c3nccn4c(C)nnc34)CC2)n1.
What is the InChIKey of 8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GZZOQTUPLSEDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-10-19-12(2)17(20-11)25-14-4-7-23(8-5-14)15-16-22-21-13(3)24(16)9-6-18-15/h6,9-10,14H,4-5,7-8H2,1-3H3.
What are the key properties of 8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 339.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 163349442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).