5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione

C10H17N3O3 — CID 72523416

IUPAC5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione
SMILESCNC1CC(=O)NN(C(C)(C)C(C)=O)C1=O
InChIInChI=1S/C10H17N3O3/c1-6(14)10(2,3)13-9(16)7(11-4)5-8(15)12-13/h7,11H,5H2,1-4H3,(H,12,15)
InChIKeyXUNUZGYNCXLACG-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.79
Rot. Bonds3

About 5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione

5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione (PubChem CID 72523416) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione.

Molecular Properties

Compound Name5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione
PubChem CID72523416
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione
SMILESCNC1CC(=O)NN(C(C)(C)C(C)=O)C1=O
InChIInChI=1S/C10H17N3O3/c1-6(14)10(2,3)13-9(16)7(11-4)5-8(15)12-13/h7,11H,5H2,1-4H3,(H,12,15)
InChIKeyXUNUZGYNCXLACG-UHFFFAOYSA-N
XLogP-0.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione?
The IUPAC name of 5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione (CID 72523416) is 5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione.
What is the SMILES notation for 5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione?
The canonical SMILES for 5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione is CNC1CC(=O)NN(C(C)(C)C(C)=O)C1=O.
What is the InChIKey of 5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione?
The InChIKey is XUNUZGYNCXLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(14)10(2,3)13-9(16)7(11-4)5-8(15)12-13/h7,11H,5H2,1-4H3,(H,12,15).
What are the key properties of 5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione?
5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione has a molecular weight of 227.26 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-(2-methyl-3-oxobutan-2-yl)diazinane-3,6-dione is sourced from PubChem (CID 72523416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).