methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate

C14H16N4O3 — CID 63121112

IUPACmethyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2cccc(OCCN)c2)nn1
InChIInChI=1S/C14H16N4O3/c1-20-14(19)12-5-6-13(18-17-12)16-10-3-2-4-11(9-10)21-8-7-15/h2-6,9H,7-8,15H2,1H3,(H,16,18)
InChIKeyICCQXVBTEMLVRG-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.34
Rot. Bonds6

About methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate

methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate (PubChem CID 63121112) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate
PubChem CID63121112
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2cccc(OCCN)c2)nn1
InChIInChI=1S/C14H16N4O3/c1-20-14(19)12-5-6-13(18-17-12)16-10-3-2-4-11(9-10)21-8-7-15/h2-6,9H,7-8,15H2,1H3,(H,16,18)
InChIKeyICCQXVBTEMLVRG-UHFFFAOYSA-N
XLogP1.34
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
CID 66456161
methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate
CID 47053095
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide
CID 63120956
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066
N-[3-(2-aminoethoxy)phenyl]-6-ethoxypyridin-2-amine
CID 63590964
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide
CID 103017298
methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109124468
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate (CID 63121112) is methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate is COC(=O)c1ccc(Nc2cccc(OCCN)c2)nn1.
What is the InChIKey of methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate?
The InChIKey is ICCQXVBTEMLVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-20-14(19)12-5-6-13(18-17-12)16-10-3-2-4-11(9-10)21-8-7-15/h2-6,9H,7-8,15H2,1H3,(H,16,18).
What are the key properties of methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate?
methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(2-aminoethoxy)anilino]pyridazine-3-carboxylate is sourced from PubChem (CID 63121112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).