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

C12H18N6O2 — CID 56695674

IUPAC2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol
SMILESOCCNc1nc2nonc2nc1N1CCCCCC1
InChIInChI=1S/C12H18N6O2/c19-8-5-13-11-12(18-6-3-1-2-4-7-18)15-10-9(14-11)16-20-17-10/h19H,1-8H2,(H,13,14,16)
InChIKeyLWDOMXQJHSYZLX-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.80
Rot. Bonds4

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

2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol (PubChem CID 56695674) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol
PubChem CID56695674
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol
SMILESOCCNc1nc2nonc2nc1N1CCCCCC1
InChIInChI=1S/C12H18N6O2/c19-8-5-13-11-12(18-6-3-1-2-4-7-18)15-10-9(14-11)16-20-17-10/h19H,1-8H2,(H,13,14,16)
InChIKeyLWDOMXQJHSYZLX-UHFFFAOYSA-N
XLogP0.80
TPSA100.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol?
The IUPAC name of 2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol (CID 56695674) is 2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol is OCCNc1nc2nonc2nc1N1CCCCCC1.
What is the InChIKey of 2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol?
The InChIKey is LWDOMXQJHSYZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c19-8-5-13-11-12(18-6-3-1-2-4-7-18)15-10-9(14-11)16-20-17-10/h19H,1-8H2,(H,13,14,16).
What are the key properties of 2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol?
2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol has a molecular weight of 278.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol is sourced from PubChem (CID 56695674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).