methyl 3-(6-aminopyridazin-3-yl)benzoate

C12H11N3O2 — CID 86682701

IUPACmethyl 3-(6-aminopyridazin-3-yl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc(N)nn2)c1
InChIInChI=1S/C12H11N3O2/c1-17-12(16)9-4-2-3-8(7-9)10-5-6-11(13)15-14-10/h2-7H,1H3,(H2,13,15)
InChIKeyUWLIUEZJHHTUOM-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.51
Rot. Bonds2

About methyl 3-(6-aminopyridazin-3-yl)benzoate

methyl 3-(6-aminopyridazin-3-yl)benzoate (PubChem CID 86682701) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 3-(6-aminopyridazin-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(6-aminopyridazin-3-yl)benzoate
PubChem CID86682701
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Namemethyl 3-(6-aminopyridazin-3-yl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc(N)nn2)c1
InChIInChI=1S/C12H11N3O2/c1-17-12(16)9-4-2-3-8(7-9)10-5-6-11(13)15-14-10/h2-7H,1H3,(H2,13,15)
InChIKeyUWLIUEZJHHTUOM-UHFFFAOYSA-N
XLogP1.51
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(6-aminopyridazin-3-yl)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
methyl 4-(6-amino-5-bromopyridazin-3-yl)benzoate;methyl 4-(6-aminopyridazin-3-yl)benzoate
CID 158639348
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
methyl 3-pyridin-4-ylbenzoate
CID 5152687
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-(2-methyl-6-sulfanylphenyl)benzoate
CID 174321079
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide
CID 141074265
methyl 3-[2-(3-methoxycarbonylphenyl)-3,4-dimethylidenecyclobuten-1-yl]benzoate
CID 164887686
methyl 3-[(1S)-1-amino-2,2,2-trifluoroethyl]benzoate
CID 66511365
methyl 3-[3-(1-methylpyrazol-3-yl)phenyl]benzoate
CID 56858913

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-aminopyridazin-3-yl)benzoate?
The IUPAC name of methyl 3-(6-aminopyridazin-3-yl)benzoate (CID 86682701) is methyl 3-(6-aminopyridazin-3-yl)benzoate.
What is the SMILES notation for methyl 3-(6-aminopyridazin-3-yl)benzoate?
The canonical SMILES for methyl 3-(6-aminopyridazin-3-yl)benzoate is COC(=O)c1cccc(-c2ccc(N)nn2)c1.
What is the InChIKey of methyl 3-(6-aminopyridazin-3-yl)benzoate?
The InChIKey is UWLIUEZJHHTUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-17-12(16)9-4-2-3-8(7-9)10-5-6-11(13)15-14-10/h2-7H,1H3,(H2,13,15).
What are the key properties of methyl 3-(6-aminopyridazin-3-yl)benzoate?
methyl 3-(6-aminopyridazin-3-yl)benzoate has a molecular weight of 229.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-aminopyridazin-3-yl)benzoate is sourced from PubChem (CID 86682701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).