N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine

C11H16N6 — CID 58328733

IUPACN-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
SMILESCNc1nnc2c(N3CCCCC3)nccn12
InChIInChI=1S/C11H16N6/c1-12-11-15-14-10-9(13-5-8-17(10)11)16-6-3-2-4-7-16/h5,8H,2-4,6-7H2,1H3,(H,12,15)
InChIKeyPEGSGDUXHLHLLJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.16
Rot. Bonds2

About N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine

N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine (PubChem CID 58328733) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
PubChem CID58328733
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC NameN-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
SMILESCNc1nnc2c(N3CCCCC3)nccn12
InChIInChI=1S/C11H16N6/c1-12-11-15-14-10-9(13-5-8-17(10)11)16-6-3-2-4-7-16/h5,8H,2-4,6-7H2,1H3,(H,12,15)
InChIKeyPEGSGDUXHLHLLJ-UHFFFAOYSA-N
XLogP1.16
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
The IUPAC name of N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine (CID 58328733) is N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine.
What is the SMILES notation for N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
The canonical SMILES for N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine is CNc1nnc2c(N3CCCCC3)nccn12.
What is the InChIKey of N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
The InChIKey is PEGSGDUXHLHLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-12-11-15-14-10-9(13-5-8-17(10)11)16-6-3-2-4-7-16/h5,8H,2-4,6-7H2,1H3,(H,12,15).
What are the key properties of N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine?
N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine has a molecular weight of 232.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine is sourced from PubChem (CID 58328733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).