methyl 2-(pyridazin-3-ylmethylamino)butanoate

C10H15N3O2 — CID 106895144

IUPACmethyl 2-(pyridazin-3-ylmethylamino)butanoate
SMILESCCC(NCc1cccnn1)C(=O)OC
InChIInChI=1S/C10H15N3O2/c1-3-9(10(14)15-2)11-7-8-5-4-6-12-13-8/h4-6,9,11H,3,7H2,1-2H3
InChIKeyHIFKIKOUUGTZDU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.52
Rot. Bonds5

About methyl 2-(pyridazin-3-ylmethylamino)butanoate

methyl 2-(pyridazin-3-ylmethylamino)butanoate (PubChem CID 106895144) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-(pyridazin-3-ylmethylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-(pyridazin-3-ylmethylamino)butanoate
PubChem CID106895144
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 2-(pyridazin-3-ylmethylamino)butanoate
SMILESCCC(NCc1cccnn1)C(=O)OC
InChIInChI=1S/C10H15N3O2/c1-3-9(10(14)15-2)11-7-8-5-4-6-12-13-8/h4-6,9,11H,3,7H2,1-2H3
InChIKeyHIFKIKOUUGTZDU-UHFFFAOYSA-N
XLogP0.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(pyridazin-3-ylmethylamino)butanoate 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 2-(1,2-oxazol-3-ylmethylamino)butanoate
CID 115353525
2-methyl-3-(pyridazin-3-ylmethylamino)propanamide
CID 106895597
methyl 2-[(2-methylphenyl)methylamino]butanoate
CID 115353062
methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate
CID 114998596
methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate
CID 115353361
2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid
CID 106895586
(2R)-2-amino-N-(pyridazin-3-ylmethyl)pentanamide
CID 107570944
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896008
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
methyl 2-(2H-tetrazol-5-ylmethylamino)butanoate
CID 115353294
2-[(pyridazin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 106897275
2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 106832007

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridazin-3-ylmethylamino)butanoate?
The IUPAC name of methyl 2-(pyridazin-3-ylmethylamino)butanoate (CID 106895144) is methyl 2-(pyridazin-3-ylmethylamino)butanoate.
What is the SMILES notation for methyl 2-(pyridazin-3-ylmethylamino)butanoate?
The canonical SMILES for methyl 2-(pyridazin-3-ylmethylamino)butanoate is CCC(NCc1cccnn1)C(=O)OC.
What is the InChIKey of methyl 2-(pyridazin-3-ylmethylamino)butanoate?
The InChIKey is HIFKIKOUUGTZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-9(10(14)15-2)11-7-8-5-4-6-12-13-8/h4-6,9,11H,3,7H2,1-2H3.
What are the key properties of methyl 2-(pyridazin-3-ylmethylamino)butanoate?
methyl 2-(pyridazin-3-ylmethylamino)butanoate has a molecular weight of 209.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridazin-3-ylmethylamino)butanoate is sourced from PubChem (CID 106895144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).