ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate

C10H11Cl2N3O3 — CID 55003828

IUPACethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c1-3-18-8(16)5-15(2)10(17)6-4-7(11)13-14-9(6)12/h4H,3,5H2,1-2H3
InChIKeyUHKBDLRLCZYAIN-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.42
Rot. Bonds4

About ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate

ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate (PubChem CID 55003828) has the molecular formula C10H11Cl2N3O3 and a molecular weight of 292.12 g/mol. Its IUPAC name is ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate
PubChem CID55003828
Molecular FormulaC10H11Cl2N3O3
Molecular Weight292.12 g/mol
Exact Mass291.02
IUPAC Nameethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c1-3-18-8(16)5-15(2)10(17)6-4-7(11)13-14-9(6)12/h4H,3,5H2,1-2H3
InChIKeyUHKBDLRLCZYAIN-UHFFFAOYSA-N
XLogP1.42
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate 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

ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate
CID 54969553
3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide
CID 114038503
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide
CID 114038446
3,6-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridazine-4-carboxamide
CID 64512743
ethyl 2-[methyl-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 113247126
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
ethyl 2-[(2-fluoro-4-hydroxybenzoyl)-methylamino]acetate
CID 113355630
(2-ethoxy-2-oxoethyl)-methylcarbamodithioic acid
CID 10051757
ethyl 2-[(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)-methylamino]acetate
CID 55008014

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate (CID 55003828) is ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1cc(Cl)nnc1Cl.
What is the InChIKey of ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate?
The InChIKey is UHKBDLRLCZYAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O3/c1-3-18-8(16)5-15(2)10(17)6-4-7(11)13-14-9(6)12/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate?
ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate has a molecular weight of 292.12 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate is sourced from PubChem (CID 55003828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).