8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

C16H19N7O2 — CID 154583451

IUPAC8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cnc(OC2CCN(c3nccn4c(C)nnc34)CC2)nc1
InChIInChI=1S/C16H19N7O2/c1-11-20-21-15-14(17-5-8-23(11)15)22-6-3-12(4-7-22)25-16-18-9-13(24-2)10-19-16/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyZARHPIADJSHMKM-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.28
Rot. Bonds4

About 8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 154583451) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID154583451
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1cnc(OC2CCN(c3nccn4c(C)nnc34)CC2)nc1
InChIInChI=1S/C16H19N7O2/c1-11-20-21-15-14(17-5-8-23(11)15)22-6-3-12(4-7-22)25-16-18-9-13(24-2)10-19-16/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyZARHPIADJSHMKM-UHFFFAOYSA-N
XLogP1.28
TPSA90.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 154583451) is 8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine is COc1cnc(OC2CCN(c3nccn4c(C)nnc34)CC2)nc1.
What is the InChIKey of 8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZARHPIADJSHMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-11-20-21-15-14(17-5-8-23(11)15)22-6-3-12(4-7-22)25-16-18-9-13(24-2)10-19-16/h5,8-10,12H,3-4,6-7H2,1-2H3.
What are the key properties of 8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 341.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 154583451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).