1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron

C6H9N2O3+ — CID 174676405

IUPAC1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron
SMILESCN1C(=O)CC(=O)N(C)C1=O.[H+]
InChIInChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3/p+1
InChIKeyVVSASNKOFCZVES-UHFFFAOYSA-O
MW157.15 g/mol
LogP-0.46
Rot. Bonds

About 1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron

1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron (PubChem CID 174676405) has the molecular formula C6H9N2O3+ and a molecular weight of 157.15 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron
PubChem CID174676405
Molecular FormulaC6H9N2O3+
Molecular Weight157.15 g/mol
Exact Mass157.06
IUPAC Name1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron
SMILESCN1C(=O)CC(=O)N(C)C1=O.[H+]
InChIInChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3/p+1
InChIKeyVVSASNKOFCZVES-UHFFFAOYSA-O
XLogP-0.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-1,3-diazinane-2,4,6-trione;hydron?
The IUPAC name of 1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron (CID 174676405) is 1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron.
What is the SMILES notation for 1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron?
The canonical SMILES for 1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron is CN1C(=O)CC(=O)N(C)C1=O.[H+].
What is the InChIKey of 1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron?
The InChIKey is VVSASNKOFCZVES-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3/p+1.
What are the key properties of 1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron?
1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron has a molecular weight of 157.15 g/mol, XLogP of -0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-diazinane-2,4,6-trione;hydron is sourced from PubChem (CID 174676405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).