(3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol

C13H16N2OS — CID 102842438

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1ccsc1C
InChIInChI=1S/C13H16N2OS/c1-4-12-11(7-8(2)14-15-12)13(16)10-5-6-17-9(10)3/h5-7,13,16H,4H2,1-3H3
InChIKeyVJNXKLZMBBOPGB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.80
Rot. Bonds3

About (3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol

(3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol (PubChem CID 102842438) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
PubChem CID102842438
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1ccsc1C
InChIInChI=1S/C13H16N2OS/c1-4-12-11(7-8(2)14-15-12)13(16)10-5-6-17-9(10)3/h5-7,13,16H,4H2,1-3H3
InChIKeyVJNXKLZMBBOPGB-UHFFFAOYSA-N
XLogP2.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Phenyl-1-(6-thiophen-2-ylpyridazin-3-yl)heptan-1-ol
CID 58366224
2-(4-Methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol
CID 169224849
(2-Methylthiophen-3-yl)-pyridazin-4-ylmethanol
CID 102842267
(3,6-Dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
CID 102842472
Pyridazin-4-yl(thiophen-2-yl)methanol
CID 105079898
(3,6-Dimethylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079918
(3-Ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079947
2-(1-Benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105083267
2-(1-Benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105083291
1-Pyridazin-4-yl-2-thiophen-2-ylethanol
CID 105087131
1-(3,6-Dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol
CID 105087142
1-(3-Ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol
CID 105087154

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol (CID 102842438) is (3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol is CCc1nnc(C)cc1C(O)c1ccsc1C.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is VJNXKLZMBBOPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-4-12-11(7-8(2)14-15-12)13(16)10-5-6-17-9(10)3/h5-7,13,16H,4H2,1-3H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol?
(3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 248.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102842438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).