(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

C16H18N2O3 — CID 105117340

IUPAC(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H18N2O3/c1-5-15-14(6-10(2)17-18-15)16(19)11-7-12(20-3)9-13(8-11)21-4/h6-9H,5H2,1-4H3
InChIKeyWSIQLXKYITZOPF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.60
Rot. Bonds5

About (3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 105117340) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID105117340
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H18N2O3/c1-5-15-14(6-10(2)17-18-15)16(19)11-7-12(20-3)9-13(8-11)21-4/h6-9H,5H2,1-4H3
InChIKeyWSIQLXKYITZOPF-UHFFFAOYSA-N
XLogP2.60
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105098414
(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105122490
(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105093728
(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105134407
(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132806
(3-ethyl-6-methylpyridazin-4-yl)-pyrazin-2-ylmethanone
CID 105101394
(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
CID 105120129
(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone
CID 105085643
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105128071
(2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 114283513
methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate
CID 104624340
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 105117340) is (3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is WSIQLXKYITZOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-5-15-14(6-10(2)17-18-15)16(19)11-7-12(20-3)9-13(8-11)21-4/h6-9H,5H2,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 105117340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).