5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C11H16N6O2 — CID 25454809

IUPAC5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCCNc1nc2nonc2nc1NC1CC1
InChIInChI=1S/C11H16N6O2/c1-18-6-2-5-12-8-9(13-7-3-4-7)15-11-10(14-8)16-19-17-11/h7H,2-6H2,1H3,(H,12,14,16)(H,13,15,17)
InChIKeyWLZLWPLHXWQKQO-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.04
Rot. Bonds7

About 5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 25454809) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID25454809
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCCNc1nc2nonc2nc1NC1CC1
InChIInChI=1S/C11H16N6O2/c1-18-6-2-5-12-8-9(13-7-3-4-7)15-11-10(14-8)16-19-17-11/h7H,2-6H2,1H3,(H,12,14,16)(H,13,15,17)
InChIKeyWLZLWPLHXWQKQO-UHFFFAOYSA-N
XLogP1.04
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-N-cyclopropyl-6-N-(3-methoxypropyl)-[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 5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 25454809) is 5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COCCCNc1nc2nonc2nc1NC1CC1.
What is the InChIKey of 5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is WLZLWPLHXWQKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-18-6-2-5-12-8-9(13-7-3-4-7)15-11-10(14-8)16-19-17-11/h7H,2-6H2,1H3,(H,12,14,16)(H,13,15,17).
What are the key properties of 5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 264.29 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 25454809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).