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

C10H12N6O — CID 26328690

IUPAC5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC=CCNc1nc2nonc2nc1NC1CC1
InChIInChI=1S/C10H12N6O/c1-2-5-11-7-8(12-6-3-4-6)14-10-9(13-7)15-17-16-10/h2,6H,1,3-5H2,(H,11,13,15)(H,12,14,16)
InChIKeyGODXPLGXHQLECK-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.18
Rot. Bonds5

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

5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 26328690) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID26328690
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC=CCNc1nc2nonc2nc1NC1CC1
InChIInChI=1S/C10H12N6O/c1-2-5-11-7-8(12-6-3-4-6)14-10-9(13-7)15-17-16-10/h2,6H,1,3-5H2,(H,11,13,15)(H,12,14,16)
InChIKeyGODXPLGXHQLECK-UHFFFAOYSA-N
XLogP1.18
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 26328690) is 5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is C=CCNc1nc2nonc2nc1NC1CC1.
What is the InChIKey of 5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is GODXPLGXHQLECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-2-5-11-7-8(12-6-3-4-6)14-10-9(13-7)15-17-16-10/h2,6H,1,3-5H2,(H,11,13,15)(H,12,14,16).
What are the key properties of 5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 232.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-6-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 26328690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).