N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

C15H20N8O — CID 25296983

IUPACN-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCN(CCc1cn[nH]c1)c1nc2nonc2nc1N1CCCCC1
InChIInChI=1S/C15H20N8O/c1-22(8-5-11-9-16-17-10-11)14-15(23-6-3-2-4-7-23)19-13-12(18-14)20-24-21-13/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyYVOMGLLEIXTKGX-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.41
Rot. Bonds5

About N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (PubChem CID 25296983) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
PubChem CID25296983
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCN(CCc1cn[nH]c1)c1nc2nonc2nc1N1CCCCC1
InChIInChI=1S/C15H20N8O/c1-22(8-5-11-9-16-17-10-11)14-15(23-6-3-2-4-7-23)19-13-12(18-14)20-24-21-13/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyYVOMGLLEIXTKGX-UHFFFAOYSA-N
XLogP1.41
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (CID 25296983) is N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is CN(CCc1cn[nH]c1)c1nc2nonc2nc1N1CCCCC1.
What is the InChIKey of N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The InChIKey is YVOMGLLEIXTKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-22(8-5-11-9-16-17-10-11)14-15(23-6-3-2-4-7-23)19-13-12(18-14)20-24-21-13/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine has a molecular weight of 328.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-piperidin-1-yl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 25296983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).