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

C9H12N4O3 — CID 123247508

IUPAC2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
SMILESCN1CCOc2nn(C)c(=O)c(CN=O)c21
InChIInChI=1S/C9H12N4O3/c1-12-3-4-16-8-7(12)6(5-10-15)9(14)13(2)11-8/h3-5H2,1-2H3
InChIKeyQWIIVQIAOLVQAC-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.12
Rot. Bonds2

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

2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one (PubChem CID 123247508) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
PubChem CID123247508
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
SMILESCN1CCOc2nn(C)c(=O)c(CN=O)c21
InChIInChI=1S/C9H12N4O3/c1-12-3-4-16-8-7(12)6(5-10-15)9(14)13(2)11-8/h3-5H2,1-2H3
InChIKeyQWIIVQIAOLVQAC-UHFFFAOYSA-N
XLogP-0.12
TPSA76.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
The IUPAC name of 2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one (CID 123247508) is 2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one.
What is the SMILES notation for 2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
The canonical SMILES for 2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one is CN1CCOc2nn(C)c(=O)c(CN=O)c21.
What is the InChIKey of 2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
The InChIKey is QWIIVQIAOLVQAC-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/h3-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one?
2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one has a molecular weight of 224.22 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(nitrosomethyl)-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one is sourced from PubChem (CID 123247508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).