N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide

C6H7N3O4 — CID 3432545

IUPACN-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide
SMILESCC(=O)NC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H7N3O4/c1-2(10)7-3-4(11)8-6(13)9-5(3)12/h3H,1H3,(H,7,10)(H2,8,9,11,12,13)
InChIKeySSLSOYGVRPQMBB-UHFFFAOYSA-N
MW185.14 g/mol
LogP-2.14
Rot. Bonds1

About N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide

N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide (PubChem CID 3432545) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide
PubChem CID3432545
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC NameN-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide
SMILESCC(=O)NC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H7N3O4/c1-2(10)7-3-4(11)8-6(13)9-5(3)12/h3H,1H3,(H,7,10)(H2,8,9,11,12,13)
InChIKeySSLSOYGVRPQMBB-UHFFFAOYSA-N
XLogP-2.14
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide?
The IUPAC name of N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide (CID 3432545) is N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide.
What is the SMILES notation for N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide?
The canonical SMILES for N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide is CC(=O)NC1C(=O)NC(=O)NC1=O.
What is the InChIKey of N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide?
The InChIKey is SSLSOYGVRPQMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c1-2(10)7-3-4(11)8-6(13)9-5(3)12/h3H,1H3,(H,7,10)(H2,8,9,11,12,13).
What are the key properties of N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide?
N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide has a molecular weight of 185.14 g/mol, XLogP of -2.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide is sourced from PubChem (CID 3432545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).