(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

C18H22N2O — CID 105093728

IUPAC(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-6-16-15(11-12(2)19-20-16)17(21)13-7-9-14(10-8-13)18(3,4)5/h7-11H,6H2,1-5H3
InChIKeyLLKKVCCKIFEWKC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.88
Rot. Bonds3

About (4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 105093728) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID105093728
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-6-16-15(11-12(2)19-20-16)17(21)13-7-9-14(10-8-13)18(3,4)5/h7-11H,6H2,1-5H3
InChIKeyLLKKVCCKIFEWKC-UHFFFAOYSA-N
XLogP3.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105134407
(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105117340
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105128071
(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone
CID 105085643
(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105122490
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
CID 105081132
6-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 104669549
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261
(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
CID 105120129
(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105098414
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 105093728) is (4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is LLKKVCCKIFEWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-6-16-15(11-12(2)19-20-16)17(21)13-7-9-14(10-8-13)18(3,4)5/h7-11H,6H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 282.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 105093728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).