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

C11H16N6O2 — CID 25385120

IUPAC6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC=CCNc1nc2nonc2nc1NCCCOC
InChIInChI=1S/C11H16N6O2/c1-3-5-12-8-9(13-6-4-7-18-2)15-11-10(14-8)16-19-17-11/h3H,1,4-7H2,2H3,(H,12,14,16)(H,13,15,17)
InChIKeySIBPTYRBPBMVHM-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.06
Rot. Bonds8

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

6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 25385120) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID25385120
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC=CCNc1nc2nonc2nc1NCCCOC
InChIInChI=1S/C11H16N6O2/c1-3-5-12-8-9(13-6-4-7-18-2)15-11-10(14-8)16-19-17-11/h3H,1,4-7H2,2H3,(H,12,14,16)(H,13,15,17)
InChIKeySIBPTYRBPBMVHM-UHFFFAOYSA-N
XLogP1.06
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 25385120) is 6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is C=CCNc1nc2nonc2nc1NCCCOC.
What is the InChIKey of 6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is SIBPTYRBPBMVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-3-5-12-8-9(13-6-4-7-18-2)15-11-10(14-8)16-19-17-11/h3H,1,4-7H2,2H3,(H,12,14,16)(H,13,15,17).
What are the key properties of 6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 264.29 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxypropyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 25385120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).