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

C8H12N2O2 — CID 131980242

IUPAC3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
SMILESCCc1c2n([nH]c1=O)CCOC2
InChIInChI=1S/C8H12N2O2/c1-2-6-7-5-12-4-3-10(7)9-8(6)11/h2-5H2,1H3,(H,9,11)
InChIKeyXKTZWUWDBRMDAS-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.27
Rot. Bonds1

About 3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one

3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one (PubChem CID 131980242) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one.

Molecular Properties

Compound Name3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
PubChem CID131980242
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
SMILESCCc1c2n([nH]c1=O)CCOC2
InChIInChI=1S/C8H12N2O2/c1-2-6-7-5-12-4-3-10(7)9-8(6)11/h2-5H2,1H3,(H,9,11)
InChIKeyXKTZWUWDBRMDAS-UHFFFAOYSA-N
XLogP0.27
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
CID 130470998
3-Tert-butyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
CID 130471138
1-Methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105430049
1-Ethyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105433733
1-Propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105440023
1-(2-Methylpropyl)-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105449958

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The IUPAC name of 3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one (CID 131980242) is 3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one.
What is the SMILES notation for 3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The canonical SMILES for 3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one is CCc1c2n([nH]c1=O)CCOC2.
What is the InChIKey of 3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The InChIKey is XKTZWUWDBRMDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-6-7-5-12-4-3-10(7)9-8(6)11/h2-5H2,1H3,(H,9,11).
What are the key properties of 3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one is sourced from PubChem (CID 131980242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).