(6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione

C6H9N3O3 — CID 6409666

IUPAC(6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)C/C(=N/O)N(C)C1=O
InChIInChI=1S/C6H9N3O3/c1-8-4(7-12)3-5(10)9(2)6(8)11/h12H,3H2,1-2H3/b7-4-
InChIKeyRTHHBQWWMYIBGA-DAXSKMNVSA-N
MW171.16 g/mol
LogP-0.31
Rot. Bonds

About (6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione

(6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 6409666) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is (6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione
PubChem CID6409666
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name(6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)C/C(=N/O)N(C)C1=O
InChIInChI=1S/C6H9N3O3/c1-8-4(7-12)3-5(10)9(2)6(8)11/h12H,3H2,1-2H3/b7-4-
InChIKeyRTHHBQWWMYIBGA-DAXSKMNVSA-N
XLogP-0.31
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Hydroxyimino-1,3-dimethyluracil
CID 6791968
(6E)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 9566368
Dihydro-6-imino-1,3-dimethyluracil
CID 87278
(6E)-6-hydrazinylidene-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 21117207
6-Hydrazinylidene-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 73743655
(6Z)-6-hydrazinylidene-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 124584207
[(1,3-Dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate
CID 131855838
6-Hydroxyimino-3-methyl-1,3-diazinane-2,4-dione
CID 136250531
6-(Hydroxyamino)-3-methylpyrimidine-2,4(3H,5H)-dione
CID 137052043

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of (6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione (CID 6409666) is (6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione is CN1C(=O)C/C(=N/O)N(C)C1=O.
What is the InChIKey of (6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is RTHHBQWWMYIBGA-DAXSKMNVSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-8-4(7-12)3-5(10)9(2)6(8)11/h12H,3H2,1-2H3/b7-4-.
What are the key properties of (6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione?
(6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 171.16 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 6409666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).