ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate

C10H15ClN4O2 — CID 147369003

IUPACethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate
SMILESCCOC(=O)CNCCNc1ccc(Cl)nn1
InChIInChI=1S/C10H15ClN4O2/c1-2-17-10(16)7-12-5-6-13-9-4-3-8(11)14-15-9/h3-4,12H,2,5-7H2,1H3,(H,13,15)
InChIKeyDISOLUXZLVQYEN-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.69
Rot. Bonds7

About ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate

ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate (PubChem CID 147369003) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate
PubChem CID147369003
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Nameethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate
SMILESCCOC(=O)CNCCNc1ccc(Cl)nn1
InChIInChI=1S/C10H15ClN4O2/c1-2-17-10(16)7-12-5-6-13-9-4-3-8(11)14-15-9/h3-4,12H,2,5-7H2,1H3,(H,13,15)
InChIKeyDISOLUXZLVQYEN-UHFFFAOYSA-N
XLogP0.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate?
The IUPAC name of ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate (CID 147369003) is ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate is CCOC(=O)CNCCNc1ccc(Cl)nn1.
What is the InChIKey of ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate?
The InChIKey is DISOLUXZLVQYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-2-17-10(16)7-12-5-6-13-9-4-3-8(11)14-15-9/h3-4,12H,2,5-7H2,1H3,(H,13,15).
What are the key properties of ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate?
ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate has a molecular weight of 258.71 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(6-chloropyridazin-3-yl)amino]ethylamino]acetate is sourced from PubChem (CID 147369003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).