6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione

C6H12N4O3 — CID 3048063

IUPAC6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)C(NO)C(N)N(C)C1=O
InChIInChI=1S/C6H12N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h3-4,8,13H,7H2,1-2H3
InChIKeyMRTGXVGVUMCCDV-UHFFFAOYSA-N
MW188.19 g/mol
LogP-1.86
Rot. Bonds1

About 6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione

6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 3048063) has the molecular formula C6H12N4O3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione
PubChem CID3048063
Molecular FormulaC6H12N4O3
Molecular Weight188.19 g/mol
Exact Mass188.09
IUPAC Name6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)C(NO)C(N)N(C)C1=O
InChIInChI=1S/C6H12N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h3-4,8,13H,7H2,1-2H3
InChIKeyMRTGXVGVUMCCDV-UHFFFAOYSA-N
XLogP-1.86
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione (CID 3048063) is 6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione is CN1C(=O)C(NO)C(N)N(C)C1=O.
What is the InChIKey of 6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is MRTGXVGVUMCCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h3-4,8,13H,7H2,1-2H3.
What are the key properties of 6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione?
6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 188.19 g/mol, XLogP of -1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(hydroxyamino)-1,3-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 3048063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).