3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C17H21N7O — CID 165435632

IUPAC3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nccnc1OCC1CCN(c2nccn3c(C)nnc23)CC1
InChIInChI=1S/C17H21N7O/c1-12-17(20-6-5-18-12)25-11-14-3-8-23(9-4-14)15-16-22-21-13(2)24(16)10-7-19-15/h5-7,10,14H,3-4,8-9,11H2,1-2H3
InChIKeyJGQDDLHCBBAVPO-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.83
Rot. Bonds4

About 3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 165435632) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID165435632
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nccnc1OCC1CCN(c2nccn3c(C)nnc23)CC1
InChIInChI=1S/C17H21N7O/c1-12-17(20-6-5-18-12)25-11-14-3-8-23(9-4-14)15-16-22-21-13(2)24(16)10-7-19-15/h5-7,10,14H,3-4,8-9,11H2,1-2H3
InChIKeyJGQDDLHCBBAVPO-UHFFFAOYSA-N
XLogP1.83
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 165435632) is 3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nccnc1OCC1CCN(c2nccn3c(C)nnc23)CC1.
What is the InChIKey of 3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JGQDDLHCBBAVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-17(20-6-5-18-12)25-11-14-3-8-23(9-4-14)15-16-22-21-13(2)24(16)10-7-19-15/h5-7,10,14H,3-4,8-9,11H2,1-2H3.
What are the key properties of 3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 339.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 165435632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).