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

C11H16N6 — CID 139295488

IUPAC3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC[C@@H]1CCCCN1c1nnc2c(N)nccn12
InChIInChI=1S/C11H16N6/c1-8-4-2-3-6-16(8)11-15-14-10-9(12)13-5-7-17(10)11/h5,7-8H,2-4,6H2,1H3,(H2,12,13)/t8-/m1/s1
InChIKeyHVJGJCFQNPXRKJ-MRVPVSSYSA-N
MW232.29 g/mol
LogP1.09
Rot. Bonds1

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

3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 139295488) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID139295488
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC[C@@H]1CCCCN1c1nnc2c(N)nccn12
InChIInChI=1S/C11H16N6/c1-8-4-2-3-6-16(8)11-15-14-10-9(12)13-5-7-17(10)11/h5,7-8H,2-4,6H2,1H3,(H2,12,13)/t8-/m1/s1
InChIKeyHVJGJCFQNPXRKJ-MRVPVSSYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 139295488) is 3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is C[C@@H]1CCCCN1c1nnc2c(N)nccn12.
What is the InChIKey of 3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is HVJGJCFQNPXRKJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-4-2-3-6-16(8)11-15-14-10-9(12)13-5-7-17(10)11/h5,7-8H,2-4,6H2,1H3,(H2,12,13)/t8-/m1/s1.
What are the key properties of 3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 232.29 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 139295488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).