1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol

C16H20N2O — CID 105077949

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cccc(C)c1
InChIInChI=1S/C16H20N2O/c1-4-15-14(9-12(3)17-18-15)16(19)10-13-7-5-6-11(2)8-13/h5-9,16,19H,4,10H2,1-3H3
InChIKeyVXRSPTUDXSGXAS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.93
Rot. Bonds4

About 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol

1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol (PubChem CID 105077949) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
PubChem CID105077949
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cccc(C)c1
InChIInChI=1S/C16H20N2O/c1-4-15-14(9-12(3)17-18-15)16(19)10-13-7-5-6-11(2)8-13/h5-9,16,19H,4,10H2,1-3H3
InChIKeyVXRSPTUDXSGXAS-UHFFFAOYSA-N
XLogP2.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 105091390
1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-4-ylethanol
CID 105108021
1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
CID 105077964
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105081232
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125716
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 105121067
2-ethoxy-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105111769
1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
CID 105080205
2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105100041
2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105082045
1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
CID 106689706

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol (CID 105077949) is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol is CCc1nnc(C)cc1C(O)Cc1cccc(C)c1.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol?
The InChIKey is VXRSPTUDXSGXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-15-14(9-12(3)17-18-15)16(19)10-13-7-5-6-11(2)8-13/h5-9,16,19H,4,10H2,1-3H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol?
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol has a molecular weight of 256.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 105077949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).