1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone

C16H18N2O2 — CID 103373181

IUPAC1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C16H18N2O2/c1-11(2)13-6-4-12(5-7-13)10-15(19)14-8-9-16(20-3)18-17-14/h4-9,11H,10H2,1-3H3
InChIKeyLUNQNRRFFQLAMZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.03
Rot. Bonds5

About 1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone

1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 103373181) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID103373181
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C16H18N2O2/c1-11(2)13-6-4-12(5-7-13)10-15(19)14-8-9-16(20-3)18-17-14/h4-9,11H,10H2,1-3H3
InChIKeyLUNQNRRFFQLAMZ-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one
CID 103373127
1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
CID 55221684
2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone
CID 103373346
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one
CID 103373254
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
6-methoxy-N-propan-2-ylpyridazine-3-carboxamide
CID 129166823
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366
1-(6-methoxypyridazin-3-yl)undecan-1-one
CID 103373382
1-(6-methoxypyridazin-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 103374344
1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968359
[1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 103375631

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone (CID 103373181) is 1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(C(C)C)cc2)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is LUNQNRRFFQLAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)13-6-4-12(5-7-13)10-15(19)14-8-9-16(20-3)18-17-14/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 103373181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).