3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H18N6 — CID 139295780

IUPAC3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC[C@H]1CCC[C@H](C)N1c1nnc2c(N)nccn12
InChIInChI=1S/C12H18N6/c1-8-4-3-5-9(2)18(8)12-16-15-11-10(13)14-6-7-17(11)12/h6-9H,3-5H2,1-2H3,(H2,13,14)/t8-,9-/m0/s1
InChIKeyAFHDEMHJJYGINT-IUCAKERBSA-N
MW246.32 g/mol
LogP1.47
Rot. Bonds1

About 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 139295780) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID139295780
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC[C@H]1CCC[C@H](C)N1c1nnc2c(N)nccn12
InChIInChI=1S/C12H18N6/c1-8-4-3-5-9(2)18(8)12-16-15-11-10(13)14-6-7-17(11)12/h6-9H,3-5H2,1-2H3,(H2,13,14)/t8-,9-/m0/s1
InChIKeyAFHDEMHJJYGINT-IUCAKERBSA-N
XLogP1.47
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 139295780) is 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is C[C@H]1CCC[C@H](C)N1c1nnc2c(N)nccn12.
What is the InChIKey of 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is AFHDEMHJJYGINT-IUCAKERBSA-N. The full InChI is InChI=1S/C12H18N6/c1-8-4-3-5-9(2)18(8)12-16-15-11-10(13)14-6-7-17(11)12/h6-9H,3-5H2,1-2H3,(H2,13,14)/t8-,9-/m0/s1.
What are the key properties of 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 246.32 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 139295780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).