ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate

C15H19N3O2 — CID 70548839

IUPACethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NN=C(CC)C1c1ccccn1
InChIInChI=1S/C15H19N3O2/c1-4-11-14(12-8-6-7-9-16-12)13(10(3)17-18-11)15(19)20-5-2/h6-9,14,17H,4-5H2,1-3H3
InChIKeyDEDRHDSJVPADAG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.37
Rot. Bonds4

About ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate

ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate (PubChem CID 70548839) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate
PubChem CID70548839
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NN=C(CC)C1c1ccccn1
InChIInChI=1S/C15H19N3O2/c1-4-11-14(12-8-6-7-9-16-12)13(10(3)17-18-11)15(19)20-5-2/h6-9,14,17H,4-5H2,1-3H3
InChIKeyDEDRHDSJVPADAG-UHFFFAOYSA-N
XLogP2.37
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate?
The IUPAC name of ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate (CID 70548839) is ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate?
The canonical SMILES for ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate is CCOC(=O)C1=C(C)NN=C(CC)C1c1ccccn1.
What is the InChIKey of ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate?
The InChIKey is DEDRHDSJVPADAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-11-14(12-8-6-7-9-16-12)13(10(3)17-18-11)15(19)20-5-2/h6-9,14,17H,4-5H2,1-3H3.
What are the key properties of ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate?
ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-6-methyl-4-pyridin-2-yl-1,4-dihydropyridazine-5-carboxylate is sourced from PubChem (CID 70548839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).