(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone

C17H20N2O2 — CID 105120129

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C17H20N2O2/c1-5-15-14(10-12(4)18-19-15)17(20)13-8-6-7-9-16(13)21-11(2)3/h6-11H,5H2,1-4H3
InChIKeyJTUCFNZLZDIQFN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.37
Rot. Bonds5

About (3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone

(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone (PubChem CID 105120129) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
PubChem CID105120129
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C17H20N2O2/c1-5-15-14(10-12(4)18-19-15)17(20)13-8-6-7-9-16(13)21-11(2)3/h6-11H,5H2,1-4H3
InChIKeyJTUCFNZLZDIQFN-UHFFFAOYSA-N
XLogP3.37
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-6-methylpyridazin-4-yl)-(2-fluorophenyl)methanone
CID 105085643
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone
CID 105128622
(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105117340
(3-ethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105122490
2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one
CID 103446686
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
propyl 2-propan-2-yloxybenzoate
CID 82186328
(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone
CID 116597562
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670530
(E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one
CID 103454235

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone (CID 105120129) is (3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone is CCc1nnc(C)cc1C(=O)c1ccccc1OC(C)C.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is JTUCFNZLZDIQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-5-15-14(10-12(4)18-19-15)17(20)13-8-6-7-9-16(13)21-11(2)3/h6-11H,5H2,1-4H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone?
(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 105120129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).