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

C12H18N6 — CID 134299779

IUPAC3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCC1CCCCN1c1nnc2c(N)nccn12
InChIInChI=1S/C12H18N6/c1-2-9-5-3-4-7-17(9)12-16-15-11-10(13)14-6-8-18(11)12/h6,8-9H,2-5,7H2,1H3,(H2,13,14)
InChIKeyJXLJBBDPJAOXPW-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.48
Rot. Bonds2

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

3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 134299779) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID134299779
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCC1CCCCN1c1nnc2c(N)nccn12
InChIInChI=1S/C12H18N6/c1-2-9-5-3-4-7-17(9)12-16-15-11-10(13)14-6-8-18(11)12/h6,8-9H,2-5,7H2,1H3,(H2,13,14)
InChIKeyJXLJBBDPJAOXPW-UHFFFAOYSA-N
XLogP1.48
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 134299779) is 3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CCC1CCCCN1c1nnc2c(N)nccn12.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is JXLJBBDPJAOXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-9-5-3-4-7-17(9)12-16-15-11-10(13)14-6-8-18(11)12/h6,8-9H,2-5,7H2,1H3,(H2,13,14).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 246.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 134299779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).