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

C7H10N2O2 — CID 130470998

IUPAC3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
SMILESCc1c2n([nH]c1=O)CCOC2
InChIInChI=1S/C7H10N2O2/c1-5-6-4-11-3-2-9(6)8-7(5)10/h2-4H2,1H3,(H,8,10)
InChIKeyYSSSYJBIGNGIQW-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.02
Rot. Bonds

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

3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one (PubChem CID 130470998) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one.

Molecular Properties

Compound Name3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
PubChem CID130470998
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one
SMILESCc1c2n([nH]c1=O)CCOC2
InChIInChI=1S/C7H10N2O2/c1-5-6-4-11-3-2-9(6)8-7(5)10/h2-4H2,1H3,(H,8,10)
InChIKeyYSSSYJBIGNGIQW-UHFFFAOYSA-N
XLogP0.02
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The IUPAC name of 3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one (CID 130470998) is 3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one.
What is the SMILES notation for 3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The canonical SMILES for 3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one is Cc1c2n([nH]c1=O)CCOC2.
What is the InChIKey of 3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
The InChIKey is YSSSYJBIGNGIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-6-4-11-3-2-9(6)8-7(5)10/h2-4H2,1H3,(H,8,10).
What are the key properties of 3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one?
3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one has a molecular weight of 154.17 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4,6,7-tetrahydropyrazolo[5,1-c][1,4]oxazin-2-one is sourced from PubChem (CID 130470998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).