2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one

C12H13N3O — CID 20533850

IUPAC2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one
SMILESCCn1nc(-c2ccncc2)cc(C)c1=O
InChIInChI=1S/C12H13N3O/c1-3-15-12(16)9(2)8-11(14-15)10-4-6-13-7-5-10/h4-8H,3H2,1-2H3
InChIKeyOESZOHTXNDSBCI-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.63
Rot. Bonds2

About 2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one

2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one (PubChem CID 20533850) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one
PubChem CID20533850
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one
SMILESCCn1nc(-c2ccncc2)cc(C)c1=O
InChIInChI=1S/C12H13N3O/c1-3-15-12(16)9(2)8-11(14-15)10-4-6-13-7-5-10/h4-8H,3H2,1-2H3
InChIKeyOESZOHTXNDSBCI-UHFFFAOYSA-N
XLogP1.63
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one (CID 20533850) is 2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one is CCn1nc(-c2ccncc2)cc(C)c1=O.
What is the InChIKey of 2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is OESZOHTXNDSBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-3-15-12(16)9(2)8-11(14-15)10-4-6-13-7-5-10/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one?
2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 215.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 20533850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).