methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate

C16H19N3O2 — CID 155524831

IUPACmethyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate
SMILESCCN(CC)c1ccc(-c2ccc(C(=O)OC)cc2)nn1
InChIInChI=1S/C16H19N3O2/c1-4-19(5-2)15-11-10-14(17-18-15)12-6-8-13(9-7-12)16(20)21-3/h6-11H,4-5H2,1-3H3
InChIKeyYGZBPELFEALWJX-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.78
Rot. Bonds5

About methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate

methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate (PubChem CID 155524831) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate
PubChem CID155524831
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate
SMILESCCN(CC)c1ccc(-c2ccc(C(=O)OC)cc2)nn1
InChIInChI=1S/C16H19N3O2/c1-4-19(5-2)15-11-10-14(17-18-15)12-6-8-13(9-7-12)16(20)21-3/h6-11H,4-5H2,1-3H3
InChIKeyYGZBPELFEALWJX-UHFFFAOYSA-N
XLogP2.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methoxymethyl]benzoate
CID 56658563
Ethyl 4-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]benzoate
CID 56668931
Ethyl 4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]oxymethyl]benzoate
CID 56682411
Ethyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate
CID 71528507
Methyl 4-[(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)methyl]benzoate
CID 16027154
Ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate
CID 56682410
1-[4-[6-(Diethylamino)pyridazin-3-yl]phenyl]ethanone
CID 155536829
Methyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate
CID 155515513
Ethyl 3-(6-morpholin-4-ylpyridazin-3-yl)benzoate
CID 71527131
Ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate
CID 71528375
Ethyl 2-(6-morpholin-4-ylpyridazin-3-yl)benzoate
CID 71528376
Ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate
CID 3088559

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate?
The IUPAC name of methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate (CID 155524831) is methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate.
What is the SMILES notation for methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate?
The canonical SMILES for methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate is CCN(CC)c1ccc(-c2ccc(C(=O)OC)cc2)nn1.
What is the InChIKey of methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate?
The InChIKey is YGZBPELFEALWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-19(5-2)15-11-10-14(17-18-15)12-6-8-13(9-7-12)16(20)21-3/h6-11H,4-5H2,1-3H3.
What are the key properties of methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate?
methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate has a molecular weight of 285.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(diethylamino)pyridazin-3-yl]benzoate is sourced from PubChem (CID 155524831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).