1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione

C7H10N2O3 — CID 59958077

IUPAC1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione
SMILES[3H]C1(C)C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h4H,1-3H3/i4T
InChIKeyOTSKHUNLOQPIGN-IBTRZKOZSA-N
MW172.18 g/mol
LogP-0.33
Rot. Bonds

About 1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione

1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione (PubChem CID 59958077) has the molecular formula C7H10N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione
PubChem CID59958077
Molecular FormulaC7H10N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione
SMILES[3H]C1(C)C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h4H,1-3H3/i4T
InChIKeyOTSKHUNLOQPIGN-IBTRZKOZSA-N
XLogP-0.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.33
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 1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione (CID 59958077) is 1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione is [3H]C1(C)C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione?
The InChIKey is OTSKHUNLOQPIGN-IBTRZKOZSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h4H,1-3H3/i4T.
What are the key properties of 1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione?
1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione has a molecular weight of 172.18 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-5-tritio-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 59958077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).