6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C13H20N6O2 — CID 25486934

IUPAC6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCN(C)c1nc2nonc2nc1NC1CCCC1
InChIInChI=1S/C13H20N6O2/c1-19(7-8-20-2)13-12(14-9-5-3-4-6-9)15-10-11(16-13)18-21-17-10/h9H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyJTPHWKPTFKAELY-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.45
Rot. Bonds6

About 6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 25486934) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID25486934
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCN(C)c1nc2nonc2nc1NC1CCCC1
InChIInChI=1S/C13H20N6O2/c1-19(7-8-20-2)13-12(14-9-5-3-4-6-9)15-10-11(16-13)18-21-17-10/h9H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyJTPHWKPTFKAELY-UHFFFAOYSA-N
XLogP1.45
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 25486934) is 6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COCCN(C)c1nc2nonc2nc1NC1CCCC1.
What is the InChIKey of 6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is JTPHWKPTFKAELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-19(7-8-20-2)13-12(14-9-5-3-4-6-9)15-10-11(16-13)18-21-17-10/h9H,3-8H2,1-2H3,(H,14,15,17).
What are the key properties of 6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 292.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-5-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 25486934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).