1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one

C6H8N2O2 — CID 151328239

IUPAC1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
SMILESO=c1cc2n([nH]1)CCOC2
InChIInChI=1S/C6H8N2O2/c9-6-3-5-4-10-2-1-8(5)7-6/h3H,1-2,4H2,(H,7,9)
InChIKeyOHWYPOQCNIQMEZ-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.29
Rot. Bonds

About 1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one

1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one (PubChem CID 151328239) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one.

Molecular Properties

Compound Name1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
PubChem CID151328239
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
SMILESO=c1cc2n([nH]1)CCOC2
InChIInChI=1S/C6H8N2O2/c9-6-3-5-4-10-2-1-8(5)7-6/h3H,1-2,4H2,(H,7,9)
InChIKeyOHWYPOQCNIQMEZ-UHFFFAOYSA-N
XLogP-0.29
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The IUPAC name of 1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one (CID 151328239) is 1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one.
What is the SMILES notation for 1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The canonical SMILES for 1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one is O=c1cc2n([nH]1)CCOC2.
What is the InChIKey of 1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The InChIKey is OHWYPOQCNIQMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-6-3-5-4-10-2-1-8(5)7-6/h3H,1-2,4H2,(H,7,9).
What are the key properties of 1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one has a molecular weight of 140.14 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one is sourced from PubChem (CID 151328239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).