1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione

C6H7N3O4 — CID 23422721

IUPAC1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(N=O)C(=O)N(C)C1=O
InChIInChI=1S/C6H7N3O4/c1-8-4(10)3(7-13)5(11)9(2)6(8)12/h3H,1-2H3
InChIKeyUENWANUIJQSFKU-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.83
Rot. Bonds1

About 1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione (PubChem CID 23422721) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione
PubChem CID23422721
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(N=O)C(=O)N(C)C1=O
InChIInChI=1S/C6H7N3O4/c1-8-4(10)3(7-13)5(11)9(2)6(8)12/h3H,1-2H3
InChIKeyUENWANUIJQSFKU-UHFFFAOYSA-N
XLogP-0.83
TPSA87.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione (CID 23422721) is 1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione is CN1C(=O)C(N=O)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione?
The InChIKey is UENWANUIJQSFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c1-8-4(10)3(7-13)5(11)9(2)6(8)12/h3H,1-2H3.
What are the key properties of 1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione has a molecular weight of 185.14 g/mol, XLogP of -0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 23422721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).