4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one

C6H14N4O — CID 141118506

IUPAC4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one
SMILESCNC1C(N)C(=O)N(C)N1C
InChIInChI=1S/C6H14N4O/c1-8-5-4(7)6(11)10(3)9(5)2/h4-5,8H,7H2,1-3H3
InChIKeyXPAAOCCMPFABMW-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.82
Rot. Bonds1

About 4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one

4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one (PubChem CID 141118506) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one.

Molecular Properties

Compound Name4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one
PubChem CID141118506
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one
SMILESCNC1C(N)C(=O)N(C)N1C
InChIInChI=1S/C6H14N4O/c1-8-5-4(7)6(11)10(3)9(5)2/h4-5,8H,7H2,1-3H3
InChIKeyXPAAOCCMPFABMW-UHFFFAOYSA-N
XLogP-1.82
TPSA61.60 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 ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one?
The IUPAC name of 4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one (CID 141118506) is 4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one.
What is the SMILES notation for 4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one?
The canonical SMILES for 4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one is CNC1C(N)C(=O)N(C)N1C.
What is the InChIKey of 4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one?
The InChIKey is XPAAOCCMPFABMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-8-5-4(7)6(11)10(3)9(5)2/h4-5,8H,7H2,1-3H3.
What are the key properties of 4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one?
4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one has a molecular weight of 158.20 g/mol, XLogP of -1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one is sourced from PubChem (CID 141118506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).