(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

C16H18N2O3 — CID 105098414

IUPAC(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H18N2O3/c1-5-14-12(8-10(2)17-18-14)16(19)13-9-11(20-3)6-7-15(13)21-4/h6-9H,5H2,1-4H3
InChIKeyHEMZKRDMQJRGQN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.60
Rot. Bonds5

About (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 105098414) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID105098414
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H18N2O3/c1-5-14-12(8-10(2)17-18-14)16(19)13-9-11(20-3)6-7-15(13)21-4/h6-9H,5H2,1-4H3
InChIKeyHEMZKRDMQJRGQN-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

(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105117340
(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132806
(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105096485
(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-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105098356
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 105098414) is (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)c1cc(OC)ccc1OC.
What is the InChIKey of (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is HEMZKRDMQJRGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-5-14-12(8-10(2)17-18-14)16(19)13-9-11(20-3)6-7-15(13)21-4/h6-9H,5H2,1-4H3.
What are the key properties of (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
(2,5-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 (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 105098414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).