2-(2-aminoethyl)-6-methoxypyridazin-3-one

C7H11N3O2 — CID 105061489

IUPAC2-(2-aminoethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCN)n1
InChIInChI=1S/C7H11N3O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5,8H2,1H3
InChIKeyPDMADAYRKVWMLE-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.79
Rot. Bonds3

About 2-(2-aminoethyl)-6-methoxypyridazin-3-one

2-(2-aminoethyl)-6-methoxypyridazin-3-one (PubChem CID 105061489) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-methoxypyridazin-3-one
PubChem CID105061489
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(2-aminoethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCN)n1
InChIInChI=1S/C7H11N3O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5,8H2,1H3
InChIKeyPDMADAYRKVWMLE-UHFFFAOYSA-N
XLogP-0.79
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-aminoethyl)-6-methoxypyridazin-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-aminoethyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-6-methoxypyridazin-3-one (CID 105061489) is 2-(2-aminoethyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-6-methoxypyridazin-3-one?
The InChIKey is PDMADAYRKVWMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-6-2-3-7(11)10(9-6)5-4-8/h2-3H,4-5,8H2,1H3.
What are the key properties of 2-(2-aminoethyl)-6-methoxypyridazin-3-one?
2-(2-aminoethyl)-6-methoxypyridazin-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).