5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one

C16H20N2O2 — CID 170985844

IUPAC5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cc(C)n[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C16H20N2O2/c1-10-8-12(15(19)18-17-10)11-6-7-14(20-5)13(9-11)16(2,3)4/h6-9H,1-5H3,(H,18,19)
InChIKeyOTCUEVBQCUCBFD-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.05
Rot. Bonds2

About 5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one

5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one (PubChem CID 170985844) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one
PubChem CID170985844
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cc(C)n[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C16H20N2O2/c1-10-8-12(15(19)18-17-10)11-6-7-14(20-5)13(9-11)16(2,3)4/h6-9H,1-5H3,(H,18,19)
InChIKeyOTCUEVBQCUCBFD-UHFFFAOYSA-N
XLogP3.05
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-4-(4-methoxybenzyl)-3(2H)-pyridazinone
CID 2811501
6-(4-Methoxyphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 689109
4-(4-Methoxyphenyl)-1-(2H)-phthalazinone
CID 689103
3-fluoro-N'-(6-methoxy-5-methyl-3,4-dihydro-1(2H)-naphthalenylidene)benzohydrazide
CID 5337440
trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5409662
4-(4-methoxybenzyl)phthalazin-1(2H)-one
CID 12332850
4-[(2-methoxyphenyl)methyl]-2H-phthalazin-1-one
CID 66897828
3H-Pyrazol-3-one,2,4-dihydro-4-(4-methoxyphenyl)-5-methyl-
CID 269241
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]-2,4-dimethylbenzamide
CID 9682435
CB2 Inhibitor, 10
CID 46501006
4-(4-Methoxyphenyl)-5,6-diphenylpyridazin-3-ol
CID 280130
5-(2-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one
CID 12688528

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one (CID 170985844) is 5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one is COc1ccc(-c2cc(C)n[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of 5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one?
The InChIKey is OTCUEVBQCUCBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-8-12(15(19)18-17-10)11-6-7-14(20-5)13(9-11)16(2,3)4/h6-9H,1-5H3,(H,18,19).
What are the key properties of 5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one?
5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one has a molecular weight of 272.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 170985844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).