(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid

C6H7N3O6 — CID 138629132

IUPAC(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid
SMILESCC1(ONC(=O)O)C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H7N3O6/c1-6(15-9-5(13)14)2(10)7-4(12)8-3(6)11/h9H,1H3,(H,13,14)(H2,7,8,10,11,12)
InChIKeyUOSHCVRHYGCGHT-UHFFFAOYSA-N
MW217.14 g/mol
LogP-1.69
Rot. Bonds2

About (5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid

(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid (PubChem CID 138629132) has the molecular formula C6H7N3O6 and a molecular weight of 217.14 g/mol. Its IUPAC name is (5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid.

Molecular Properties

Compound Name(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid
PubChem CID138629132
Molecular FormulaC6H7N3O6
Molecular Weight217.14 g/mol
Exact Mass217.03
IUPAC Name(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid
SMILESCC1(ONC(=O)O)C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H7N3O6/c1-6(15-9-5(13)14)2(10)7-4(12)8-3(6)11/h9H,1H3,(H,13,14)(H2,7,8,10,11,12)
InChIKeyUOSHCVRHYGCGHT-UHFFFAOYSA-N
XLogP-1.69
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid?
The IUPAC name of (5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid (CID 138629132) is (5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid.
What is the SMILES notation for (5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid?
The canonical SMILES for (5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid is CC1(ONC(=O)O)C(=O)NC(=O)NC1=O.
What is the InChIKey of (5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid?
The InChIKey is UOSHCVRHYGCGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O6/c1-6(15-9-5(13)14)2(10)7-4(12)8-3(6)11/h9H,1H3,(H,13,14)(H2,7,8,10,11,12).
What are the key properties of (5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid?
(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid has a molecular weight of 217.14 g/mol, XLogP of -1.69, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid is sourced from PubChem (CID 138629132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).