2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one

C19H20N2O — CID 166126408

IUPAC2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one
SMILESCCn1ncc2cc(-c3c(C)cc(C)cc3C)ccc2c1=O
InChIInChI=1S/C19H20N2O/c1-5-21-19(22)17-7-6-15(10-16(17)11-20-21)18-13(3)8-12(2)9-14(18)4/h6-11H,5H2,1-4H3
InChIKeyDIRJWKBVNCZMDE-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.01
Rot. Bonds2

About 2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one

2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one (PubChem CID 166126408) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one.

Molecular Properties

Compound Name2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one
PubChem CID166126408
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one
SMILESCCn1ncc2cc(-c3c(C)cc(C)cc3C)ccc2c1=O
InChIInChI=1S/C19H20N2O/c1-5-21-19(22)17-7-6-15(10-16(17)11-20-21)18-13(3)8-12(2)9-14(18)4/h6-11H,5H2,1-4H3
InChIKeyDIRJWKBVNCZMDE-UHFFFAOYSA-N
XLogP4.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
2-Methylphthalazin-1-one
CID 313378
Phenyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3063662
Talastine
CID 65624
2-[2-(diethylamino)ethyl]indeno[1,2,3-de]phthalazin-3(2H)-one
CID 2052803
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
2-Methyl-4-(phenylmethyl)phthalazin-1-one
CID 619552
Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
CID 738018
(2-Fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2952491
4-({3-[(4-Methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133630
(2,5-Dihydro-1h-Pyrrol-1-Yl)(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)methanone
CID 119057480

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one?
The IUPAC name of 2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one (CID 166126408) is 2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one.
What is the SMILES notation for 2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one?
The canonical SMILES for 2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one is CCn1ncc2cc(-c3c(C)cc(C)cc3C)ccc2c1=O.
What is the InChIKey of 2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one?
The InChIKey is DIRJWKBVNCZMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-5-21-19(22)17-7-6-15(10-16(17)11-20-21)18-13(3)8-12(2)9-14(18)4/h6-11H,5H2,1-4H3.
What are the key properties of 2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one?
2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one has a molecular weight of 292.38 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one is sourced from PubChem (CID 166126408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).