1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one

C6H7N3O2 — CID 145225037

IUPAC1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one
SMILESO=C1CCOc2[nH]ncc2N1
InChIInChI=1S/C6H7N3O2/c10-5-1-2-11-6-4(8-5)3-7-9-6/h3H,1-2H2,(H,7,9)(H,8,10)
InChIKeyIUAWATOEPYCSBI-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.13
Rot. Bonds

About 1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one

1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one (PubChem CID 145225037) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one.

Molecular Properties

Compound Name1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one
PubChem CID145225037
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one
SMILESO=C1CCOc2[nH]ncc2N1
InChIInChI=1S/C6H7N3O2/c10-5-1-2-11-6-4(8-5)3-7-9-6/h3H,1-2H2,(H,7,9)(H,8,10)
InChIKeyIUAWATOEPYCSBI-UHFFFAOYSA-N
XLogP0.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one?
The IUPAC name of 1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one (CID 145225037) is 1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one.
What is the SMILES notation for 1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one?
The canonical SMILES for 1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one is O=C1CCOc2[nH]ncc2N1.
What is the InChIKey of 1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one?
The InChIKey is IUAWATOEPYCSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-5-1-2-11-6-4(8-5)3-7-9-6/h3H,1-2H2,(H,7,9)(H,8,10).
What are the key properties of 1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one?
1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one has a molecular weight of 153.14 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one is sourced from PubChem (CID 145225037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).