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

C13H18N4O — CID 105121067

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1ccn(C)n1
InChIInChI=1S/C13H18N4O/c1-4-12-11(7-9(2)14-15-12)13(18)8-10-5-6-17(3)16-10/h5-7,13,18H,4,8H2,1-3H3
InChIKeyMNQPLGMXWWPHJQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.36
Rot. Bonds4

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

1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 105121067) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID105121067
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1ccn(C)n1
InChIInChI=1S/C13H18N4O/c1-4-12-11(7-9(2)14-15-12)13(18)8-10-5-6-17(3)16-10/h5-7,13,18H,4,8H2,1-3H3
InChIKeyMNQPLGMXWWPHJQ-UHFFFAOYSA-N
XLogP1.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-4-ylethanol
CID 105108021
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105107301
1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869812
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
CID 105077949
2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105103223
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714
2-ethoxy-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105111769
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107969835
1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol
CID 105111921
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105081232
2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105100041

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol (CID 105121067) is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol is CCc1nnc(C)cc1C(O)Cc1ccn(C)n1.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is MNQPLGMXWWPHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-12-11(7-9(2)14-15-12)13(18)8-10-5-6-17(3)16-10/h5-7,13,18H,4,8H2,1-3H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 246.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105121067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).