2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol

C8H12N6O3 — CID 3143325

IUPAC2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol
SMILESOCCNc1nc2nonc2nc1NCCO
InChIInChI=1S/C8H12N6O3/c15-3-1-9-5-6(10-2-4-16)12-8-7(11-5)13-17-14-8/h15-16H,1-4H2,(H,9,11,13)(H,10,12,14)
InChIKeyCALLQUFQJBJHFQ-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.18
Rot. Bonds6

About 2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol

2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol (PubChem CID 3143325) has the molecular formula C8H12N6O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol
PubChem CID3143325
Molecular FormulaC8H12N6O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol
SMILESOCCNc1nc2nonc2nc1NCCO
InChIInChI=1S/C8H12N6O3/c15-3-1-9-5-6(10-2-4-16)12-8-7(11-5)13-17-14-8/h15-16H,1-4H2,(H,9,11,13)(H,10,12,14)
InChIKeyCALLQUFQJBJHFQ-UHFFFAOYSA-N
XLogP-1.18
TPSA129.22 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol?
The IUPAC name of 2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol (CID 3143325) is 2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol is OCCNc1nc2nonc2nc1NCCO.
What is the InChIKey of 2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol?
The InChIKey is CALLQUFQJBJHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3/c15-3-1-9-5-6(10-2-4-16)12-8-7(11-5)13-17-14-8/h15-16H,1-4H2,(H,9,11,13)(H,10,12,14).
What are the key properties of 2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol?
2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol has a molecular weight of 240.22 g/mol, XLogP of -1.18, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol is sourced from PubChem (CID 3143325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).