1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone

C18H16N2O — CID 105087972

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
SMILESCc1cc(C(=O)Cc2cccc3ccccc23)c(C)nn1
InChIInChI=1S/C18H16N2O/c1-12-10-17(13(2)20-19-12)18(21)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10H,11H2,1-2H3
InChIKeyRLTRKADZFOSJTI-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.67
Rot. Bonds3

About 1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone

1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone (PubChem CID 105087972) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
PubChem CID105087972
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
SMILESCc1cc(C(=O)Cc2cccc3ccccc23)c(C)nn1
InChIInChI=1S/C18H16N2O/c1-12-10-17(13(2)20-19-12)18(21)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10H,11H2,1-2H3
InChIKeyRLTRKADZFOSJTI-UHFFFAOYSA-N
XLogP3.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-2-(3-methylphenyl)ethanone
CID 105079378
2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105081631
1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 155671739
1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone
CID 105110455
1-(5-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanone
CID 63409453
1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 116581294
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 105118017
1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone
CID 105064886
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone
CID 61054883
1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 81316894
1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone
CID 63528898

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone (CID 105087972) is 1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone is Cc1cc(C(=O)Cc2cccc3ccccc23)c(C)nn1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone?
The InChIKey is RLTRKADZFOSJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-10-17(13(2)20-19-12)18(21)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10H,11H2,1-2H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone?
1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone has a molecular weight of 276.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 105087972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).