3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one

C16H20N2O — CID 134912958

IUPAC3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one
SMILESCCc1c(-c2ccccc2)c(C(C)(C)C)n[nH]c1=O
InChIInChI=1S/C16H20N2O/c1-5-12-13(11-9-7-6-8-10-11)14(16(2,3)4)17-18-15(12)19/h6-10H,5H2,1-4H3,(H,18,19)
InChIKeyIOCJDZBDUQIPQU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.30
Rot. Bonds2

About 3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one

3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one (PubChem CID 134912958) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one
PubChem CID134912958
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one
SMILESCCc1c(-c2ccccc2)c(C(C)(C)C)n[nH]c1=O
InChIInChI=1S/C16H20N2O/c1-5-12-13(11-9-7-6-8-10-11)14(16(2,3)4)17-18-15(12)19/h6-10H,5H2,1-4H3,(H,18,19)
InChIKeyIOCJDZBDUQIPQU-UHFFFAOYSA-N
XLogP3.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58012801
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5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
N,4-diethyl-5-phenyl-1H-pyrazol-3-amine
CID 63047789
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
4-phenyl-3,5-bis(trifluoromethyl)-1H-pyrazole
CID 15075858
4-ethyl-5-phenyl-1,2-oxazol-3-one
CID 13454114
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
5-phenyl-3-(propylamino)-1H-pyridazin-6-one
CID 71580091
4-ethyl-3-phenyl-5-(4-phenylphenyl)-1H-pyrazole
CID 134304912
3-tert-butyl-4-phenylisoquinolin-1-amine
CID 58517608
1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one?
The IUPAC name of 3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one (CID 134912958) is 3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one is CCc1c(-c2ccccc2)c(C(C)(C)C)n[nH]c1=O.
What is the InChIKey of 3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one?
The InChIKey is IOCJDZBDUQIPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-5-12-13(11-9-7-6-8-10-11)14(16(2,3)4)17-18-15(12)19/h6-10H,5H2,1-4H3,(H,18,19).
What are the key properties of 3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one?
3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one has a molecular weight of 256.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 134912958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).