4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one

C9H12N4O3 — CID 136595506

IUPAC4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
SMILESCN1CCOc2nn(C)c(=O)c(C=NO)c21
InChIInChI=1S/C9H12N4O3/c1-12-3-4-16-8-7(12)6(5-10-15)9(14)13(2)11-8/h5,15H,3-4H2,1-2H3
InChIKeyXRBIRZCVMKETPN-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.58
Rot. Bonds1

About 4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one

4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one (PubChem CID 136595506) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
PubChem CID136595506
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
SMILESCN1CCOc2nn(C)c(=O)c(C=NO)c21
InChIInChI=1S/C9H12N4O3/c1-12-3-4-16-8-7(12)6(5-10-15)9(14)13(2)11-8/h5,15H,3-4H2,1-2H3
InChIKeyXRBIRZCVMKETPN-UHFFFAOYSA-N
XLogP-0.58
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze 4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
The IUPAC name of 4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one (CID 136595506) is 4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
The canonical SMILES for 4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one is CN1CCOc2nn(C)c(=O)c(C=NO)c21.
What is the InChIKey of 4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
The InChIKey is XRBIRZCVMKETPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-12-3-4-16-8-7(12)6(5-10-15)9(14)13(2)11-8/h5,15H,3-4H2,1-2H3.
What are the key properties of 4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one has a molecular weight of 224.22 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one is sourced from PubChem (CID 136595506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).