2-(2-methoxyethyl)-6-nitrosopyridazin-3-one

C7H9N3O3 — CID 162363692

IUPAC2-(2-methoxyethyl)-6-nitrosopyridazin-3-one
SMILESCOCCn1nc(N=O)ccc1=O
InChIInChI=1S/C7H9N3O3/c1-13-5-4-10-7(11)3-2-6(8-10)9-12/h2-3H,4-5H2,1H3
InChIKeyRLMRKBAFLQNYHX-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.29
Rot. Bonds4

About 2-(2-methoxyethyl)-6-nitrosopyridazin-3-one

2-(2-methoxyethyl)-6-nitrosopyridazin-3-one (PubChem CID 162363692) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-nitrosopyridazin-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-nitrosopyridazin-3-one
PubChem CID162363692
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(2-methoxyethyl)-6-nitrosopyridazin-3-one
SMILESCOCCn1nc(N=O)ccc1=O
InChIInChI=1S/C7H9N3O3/c1-13-5-4-10-7(11)3-2-6(8-10)9-12/h2-3H,4-5H2,1H3
InChIKeyRLMRKBAFLQNYHX-UHFFFAOYSA-N
XLogP0.29
TPSA73.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methoxyethyl)-6-nitrosopyridazin-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 2-(2-methoxyethyl)-6-nitrosopyridazin-3-one?
The IUPAC name of 2-(2-methoxyethyl)-6-nitrosopyridazin-3-one (CID 162363692) is 2-(2-methoxyethyl)-6-nitrosopyridazin-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-6-nitrosopyridazin-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-6-nitrosopyridazin-3-one is COCCn1nc(N=O)ccc1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-nitrosopyridazin-3-one?
The InChIKey is RLMRKBAFLQNYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-5-4-10-7(11)3-2-6(8-10)9-12/h2-3H,4-5H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-6-nitrosopyridazin-3-one?
2-(2-methoxyethyl)-6-nitrosopyridazin-3-one has a molecular weight of 183.17 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-nitrosopyridazin-3-one is sourced from PubChem (CID 162363692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).