4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one

C16H22N2O2 — CID 11821823

IUPAC4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCCC(C)C1C(=O)N(C)N=C(c2ccccc2)C1OC
InChIInChI=1S/C16H22N2O2/c1-5-11(2)13-15(20-4)14(17-18(3)16(13)19)12-9-7-6-8-10-12/h6-11,13,15H,5H2,1-4H3
InChIKeyLVYHTGDCUXNWSO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.54
Rot. Bonds4

About 4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one

4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 11821823) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID11821823
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCCC(C)C1C(=O)N(C)N=C(c2ccccc2)C1OC
InChIInChI=1S/C16H22N2O2/c1-5-11(2)13-15(20-4)14(17-18(3)16(13)19)12-9-7-6-8-10-12/h6-11,13,15H,5H2,1-4H3
InChIKeyLVYHTGDCUXNWSO-UHFFFAOYSA-N
XLogP2.54
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one (CID 11821823) is 4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one is CCC(C)C1C(=O)N(C)N=C(c2ccccc2)C1OC.
What is the InChIKey of 4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is LVYHTGDCUXNWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-11(2)13-15(20-4)14(17-18(3)16(13)19)12-9-7-6-8-10-12/h6-11,13,15H,5H2,1-4H3.
What are the key properties of 4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one?
4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 274.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-methoxy-2-methyl-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 11821823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).