(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

C16H18N2O2 — CID 105122490

IUPAC(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCOc1cccc(C(=O)c2cc(C)nnc2CC)c1
InChIInChI=1S/C16H18N2O2/c1-4-15-14(9-11(3)17-18-15)16(19)12-7-6-8-13(10-12)20-5-2/h6-10H,4-5H2,1-3H3
InChIKeyVQLYNZKIGVQLOY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.98
Rot. Bonds5

About (3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 105122490) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID105122490
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCOc1cccc(C(=O)c2cc(C)nnc2CC)c1
InChIInChI=1S/C16H18N2O2/c1-4-15-14(9-11(3)17-18-15)16(19)12-7-6-8-13(10-12)20-5-2/h6-10H,4-5H2,1-3H3
InChIKeyVQLYNZKIGVQLOY-UHFFFAOYSA-N
XLogP2.98
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105117340
(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105134407
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105093728
(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62801807
(2-amino-3-fluorophenyl)-(3-ethoxyphenyl)methanone
CID 116597765
(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
CID 105081132
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
(3-ethoxyphenyl)-[2-(octylamino)-3-pyridinyl]methanone
CID 139998068
[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
CID 139998041
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105128071
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of (3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 105122490) is (3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for (3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for (3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCOc1cccc(C(=O)c2cc(C)nnc2CC)c1.
What is the InChIKey of (3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is VQLYNZKIGVQLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-15-14(9-11(3)17-18-15)16(19)12-7-6-8-13(10-12)20-5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of (3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 105122490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).