3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C11H16N6 — CID 139295511

IUPAC3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1CCN(c2nnc3c(N)nccn23)CC1
InChIInChI=1S/C11H16N6/c1-8-2-5-16(6-3-8)11-15-14-10-9(12)13-4-7-17(10)11/h4,7-8H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyJZSFUHUQCLUXAW-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.94
Rot. Bonds1

About 3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 139295511) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID139295511
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1CCN(c2nnc3c(N)nccn23)CC1
InChIInChI=1S/C11H16N6/c1-8-2-5-16(6-3-8)11-15-14-10-9(12)13-4-7-17(10)11/h4,7-8H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyJZSFUHUQCLUXAW-UHFFFAOYSA-N
XLogP0.94
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 139295511) is 3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC1CCN(c2nnc3c(N)nccn23)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is JZSFUHUQCLUXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-2-5-16(6-3-8)11-15-14-10-9(12)13-4-7-17(10)11/h4,7-8H,2-3,5-6H2,1H3,(H2,12,13).
What are the key properties of 3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 232.29 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 139295511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).