ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate

C15H17N3O2 — CID 155513816

IUPACethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1
InChIInChI=1S/C15H17N3O2/c1-4-20-15(19)12-7-5-11(6-8-12)13-9-10-14(17-16-13)18(2)3/h5-10H,4H2,1-3H3
InChIKeyBNTOKFWKBSQBMF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.39
Rot. Bonds4

About ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate

ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate (PubChem CID 155513816) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate
PubChem CID155513816
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1
InChIInChI=1S/C15H17N3O2/c1-4-20-15(19)12-7-5-11(6-8-12)13-9-10-14(17-16-13)18(2)3/h5-10H,4H2,1-3H3
InChIKeyBNTOKFWKBSQBMF-UHFFFAOYSA-N
XLogP2.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate?
The IUPAC name of ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate (CID 155513816) is ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate.
What is the SMILES notation for ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate?
The canonical SMILES for ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate is CCOC(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1.
What is the InChIKey of ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate?
The InChIKey is BNTOKFWKBSQBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-20-15(19)12-7-5-11(6-8-12)13-9-10-14(17-16-13)18(2)3/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate?
ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate has a molecular weight of 271.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(dimethylamino)pyridazin-3-yl]benzoate is sourced from PubChem (CID 155513816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).