N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide

C10H14N4O4 — CID 26435326

IUPACN-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide
SMILESCn1c(=O)n(C)c(=O)n(CC(=O)NC2CC2)c1=O
InChIInChI=1S/C10H14N4O4/c1-12-8(16)13(2)10(18)14(9(12)17)5-7(15)11-6-3-4-6/h6H,3-5H2,1-2H3,(H,11,15)
InChIKeyOHIAHVFQNNJMCO-UHFFFAOYSA-N
MW254.25 g/mol
LogP-2.48
Rot. Bonds3

About N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide

N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide (PubChem CID 26435326) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide
PubChem CID26435326
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide
SMILESCn1c(=O)n(C)c(=O)n(CC(=O)NC2CC2)c1=O
InChIInChI=1S/C10H14N4O4/c1-12-8(16)13(2)10(18)14(9(12)17)5-7(15)11-6-3-4-6/h6H,3-5H2,1-2H3,(H,11,15)
InChIKeyOHIAHVFQNNJMCO-UHFFFAOYSA-N
XLogP-2.48
TPSA95.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-2.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide (CID 26435326) is N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide is Cn1c(=O)n(C)c(=O)n(CC(=O)NC2CC2)c1=O.
What is the InChIKey of N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide?
The InChIKey is OHIAHVFQNNJMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-12-8(16)13(2)10(18)14(9(12)17)5-7(15)11-6-3-4-6/h6H,3-5H2,1-2H3,(H,11,15).
What are the key properties of N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide?
N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide has a molecular weight of 254.25 g/mol, XLogP of -2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide is sourced from PubChem (CID 26435326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).