3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine

C13H19N7 — CID 141405870

IUPAC3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine
SMILESCCn1nc(C2CCNCC2)nc1-c1nccnc1N
InChIInChI=1S/C13H19N7/c1-2-20-13(10-11(14)17-8-7-16-10)18-12(19-20)9-3-5-15-6-4-9/h7-9,15H,2-6H2,1H3,(H2,14,17)
InChIKeyAZUMBYWOADLRHX-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.80
Rot. Bonds3

About 3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine

3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine (PubChem CID 141405870) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine
PubChem CID141405870
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine
SMILESCCn1nc(C2CCNCC2)nc1-c1nccnc1N
InChIInChI=1S/C13H19N7/c1-2-20-13(10-11(14)17-8-7-16-10)18-12(19-20)9-3-5-15-6-4-9/h7-9,15H,2-6H2,1H3,(H2,14,17)
InChIKeyAZUMBYWOADLRHX-UHFFFAOYSA-N
XLogP0.80
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine?
The IUPAC name of 3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine (CID 141405870) is 3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine is CCn1nc(C2CCNCC2)nc1-c1nccnc1N.
What is the InChIKey of 3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine?
The InChIKey is AZUMBYWOADLRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-2-20-13(10-11(14)17-8-7-16-10)18-12(19-20)9-3-5-15-6-4-9/h7-9,15H,2-6H2,1H3,(H2,14,17).
What are the key properties of 3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine?
3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 141405870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).