4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one

C6H14N4O — CID 141118511

IUPAC4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one
SMILESCCN1C(N)C(N)C(=O)N1C
InChIInChI=1S/C6H14N4O/c1-3-10-5(8)4(7)6(11)9(10)2/h4-5H,3,7-8H2,1-2H3
InChIKeyKNFPJJFODSFBTN-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.69
Rot. Bonds1

About 4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one

4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one (PubChem CID 141118511) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one.

Molecular Properties

Compound Name4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one
PubChem CID141118511
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one
SMILESCCN1C(N)C(N)C(=O)N1C
InChIInChI=1S/C6H14N4O/c1-3-10-5(8)4(7)6(11)9(10)2/h4-5H,3,7-8H2,1-2H3
InChIKeyKNFPJJFODSFBTN-UHFFFAOYSA-N
XLogP-1.69
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.69
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-ethyl-2-methylpyrazolidin-3-one?
The IUPAC name of 4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one (CID 141118511) is 4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one.
What is the SMILES notation for 4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one?
The canonical SMILES for 4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one is CCN1C(N)C(N)C(=O)N1C.
What is the InChIKey of 4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one?
The InChIKey is KNFPJJFODSFBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-3-10-5(8)4(7)6(11)9(10)2/h4-5H,3,7-8H2,1-2H3.
What are the key properties of 4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one?
4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one has a molecular weight of 158.20 g/mol, XLogP of -1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-1-ethyl-2-methylpyrazolidin-3-one is sourced from PubChem (CID 141118511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).