1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol

C12H20N2O2 — CID 105111921

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol
SMILESCCCOCC(O)c1cc(C)nnc1CC
InChIInChI=1S/C12H20N2O2/c1-4-6-16-8-12(15)10-7-9(3)13-14-11(10)5-2/h7,12,15H,4-6,8H2,1-3H3
InChIKeyGAFIPRUDKRFCNX-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.81
Rot. Bonds6

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

1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol (PubChem CID 105111921) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol
PubChem CID105111921
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol
SMILESCCCOCC(O)c1cc(C)nnc1CC
InChIInChI=1S/C12H20N2O2/c1-4-6-16-8-12(15)10-7-9(3)13-14-11(10)5-2/h7,12,15H,4-6,8H2,1-3H3
InChIKeyGAFIPRUDKRFCNX-UHFFFAOYSA-N
XLogP1.81
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105111769
1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol
CID 105111964
1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-4-ylethanol
CID 105108021
1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine
CID 105165411
[1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethyl]hydrazine
CID 105321504
1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
CID 115818822
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
CID 105077949
(3,5-dimethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105102866
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 105121067
2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105082045

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol (CID 105111921) is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol is CCCOCC(O)c1cc(C)nnc1CC.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol?
The InChIKey is GAFIPRUDKRFCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-6-16-8-12(15)10-7-9(3)13-14-11(10)5-2/h7,12,15H,4-6,8H2,1-3H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol?
1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol has a molecular weight of 224.30 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol is sourced from PubChem (CID 105111921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).