4,5-diamino-1,2-dimethylpyrazolidin-3-one

C5H12N4O — CID 141118504

IUPAC4,5-diamino-1,2-dimethylpyrazolidin-3-one
SMILESCN1C(=O)C(N)C(N)N1C
InChIInChI=1S/C5H12N4O/c1-8-4(7)3(6)5(10)9(8)2/h3-4H,6-7H2,1-2H3
InChIKeyPTHUZSJJLGJPHY-UHFFFAOYSA-N
MW144.18 g/mol
LogP-2.08
Rot. Bonds

About 4,5-diamino-1,2-dimethylpyrazolidin-3-one

4,5-diamino-1,2-dimethylpyrazolidin-3-one (PubChem CID 141118504) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 4,5-diamino-1,2-dimethylpyrazolidin-3-one.

Molecular Properties

Compound Name4,5-diamino-1,2-dimethylpyrazolidin-3-one
PubChem CID141118504
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name4,5-diamino-1,2-dimethylpyrazolidin-3-one
SMILESCN1C(=O)C(N)C(N)N1C
InChIInChI=1S/C5H12N4O/c1-8-4(7)3(6)5(10)9(8)2/h3-4H,6-7H2,1-2H3
InChIKeyPTHUZSJJLGJPHY-UHFFFAOYSA-N
XLogP-2.08
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-1,2-dimethylpyrazolidin-3-one?
The IUPAC name of 4,5-diamino-1,2-dimethylpyrazolidin-3-one (CID 141118504) is 4,5-diamino-1,2-dimethylpyrazolidin-3-one.
What is the SMILES notation for 4,5-diamino-1,2-dimethylpyrazolidin-3-one?
The canonical SMILES for 4,5-diamino-1,2-dimethylpyrazolidin-3-one is CN1C(=O)C(N)C(N)N1C.
What is the InChIKey of 4,5-diamino-1,2-dimethylpyrazolidin-3-one?
The InChIKey is PTHUZSJJLGJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-8-4(7)3(6)5(10)9(8)2/h3-4H,6-7H2,1-2H3.
What are the key properties of 4,5-diamino-1,2-dimethylpyrazolidin-3-one?
4,5-diamino-1,2-dimethylpyrazolidin-3-one has a molecular weight of 144.18 g/mol, XLogP of -2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-1,2-dimethylpyrazolidin-3-one is sourced from PubChem (CID 141118504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).