1,2,5-trimethylpyrazolidin-3-one

C6H12N2O — CID 15173888

IUPAC1,2,5-trimethylpyrazolidin-3-one
SMILESCC1CC(=O)N(C)N1C
InChIInChI=1S/C6H12N2O/c1-5-4-6(9)8(3)7(5)2/h5H,4H2,1-3H3
InChIKeyNQNKIZYLJSSQHD-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.08
Rot. Bonds

About 1,2,5-trimethylpyrazolidin-3-one

1,2,5-trimethylpyrazolidin-3-one (PubChem CID 15173888) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,2,5-trimethylpyrazolidin-3-one.

Molecular Properties

Compound Name1,2,5-trimethylpyrazolidin-3-one
PubChem CID15173888
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1,2,5-trimethylpyrazolidin-3-one
SMILESCC1CC(=O)N(C)N1C
InChIInChI=1S/C6H12N2O/c1-5-4-6(9)8(3)7(5)2/h5H,4H2,1-3H3
InChIKeyNQNKIZYLJSSQHD-UHFFFAOYSA-N
XLogP0.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethylpyrazolidin-3-one?
The IUPAC name of 1,2,5-trimethylpyrazolidin-3-one (CID 15173888) is 1,2,5-trimethylpyrazolidin-3-one.
What is the SMILES notation for 1,2,5-trimethylpyrazolidin-3-one?
The canonical SMILES for 1,2,5-trimethylpyrazolidin-3-one is CC1CC(=O)N(C)N1C.
What is the InChIKey of 1,2,5-trimethylpyrazolidin-3-one?
The InChIKey is NQNKIZYLJSSQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-4-6(9)8(3)7(5)2/h5H,4H2,1-3H3.
What are the key properties of 1,2,5-trimethylpyrazolidin-3-one?
1,2,5-trimethylpyrazolidin-3-one has a molecular weight of 128.17 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethylpyrazolidin-3-one is sourced from PubChem (CID 15173888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).