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

C15H21N7O2 — CID 42245771

IUPAC1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one
SMILESO=C1CCN(c2nc3nonc3nc2N2CCCCCC2)CCN1
InChIInChI=1S/C15H21N7O2/c23-11-5-9-22(10-6-16-11)15-14(21-7-3-1-2-4-8-21)17-12-13(18-15)20-24-19-12/h1-10H2,(H,16,23)
InChIKeyAWVCGOLFVOORKF-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.72
Rot. Bonds2

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

1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one (PubChem CID 42245771) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one
PubChem CID42245771
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one
SMILESO=C1CCN(c2nc3nonc3nc2N2CCCCCC2)CCN1
InChIInChI=1S/C15H21N7O2/c23-11-5-9-22(10-6-16-11)15-14(21-7-3-1-2-4-8-21)17-12-13(18-15)20-24-19-12/h1-10H2,(H,16,23)
InChIKeyAWVCGOLFVOORKF-UHFFFAOYSA-N
XLogP0.72
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one?
The IUPAC name of 1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one (CID 42245771) is 1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one is O=C1CCN(c2nc3nonc3nc2N2CCCCCC2)CCN1.
What is the InChIKey of 1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one?
The InChIKey is AWVCGOLFVOORKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c23-11-5-9-22(10-6-16-11)15-14(21-7-3-1-2-4-8-21)17-12-13(18-15)20-24-19-12/h1-10H2,(H,16,23).
What are the key properties of 1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one?
1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one has a molecular weight of 331.38 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1,4-diazepan-5-one is sourced from PubChem (CID 42245771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).