(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol

C12H14N2OS — CID 105102712

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol
SMILESCCc1nnc(C)cc1C(O)c1ccsc1
InChIInChI=1S/C12H14N2OS/c1-3-11-10(6-8(2)13-14-11)12(15)9-4-5-16-7-9/h4-7,12,15H,3H2,1-2H3
InChIKeyGVMILXYMGYSLGV-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.49
Rot. Bonds3

About (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol

(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol (PubChem CID 105102712) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol
PubChem CID105102712
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol
SMILESCCc1nnc(C)cc1C(O)c1ccsc1
InChIInChI=1S/C12H14N2OS/c1-3-11-10(6-8(2)13-14-11)12(15)9-4-5-16-7-9/h4-7,12,15H,3H2,1-2H3
InChIKeyGVMILXYMGYSLGV-UHFFFAOYSA-N
XLogP2.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
CID 105154023
(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105133302
(3-ethyl-6-methylpyridazin-4-yl)-(furan-3-yl)methanol
CID 105097197
(3-ethyl-6-methylpyridazin-4-yl)-pyridin-3-ylmethanol
CID 105079484
(2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol
CID 105102734
(2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 107516160
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147937
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147843
(3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105131524
(2-methylthiophen-3-yl)-thiophen-3-ylmethanol
CID 102829147
1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 105099329
(3-ethyl-6-methylpyridazin-4-yl)-(2-propylpyrazol-3-yl)methanol
CID 105098012

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol (CID 105102712) is (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol is CCc1nnc(C)cc1C(O)c1ccsc1.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol?
The InChIKey is GVMILXYMGYSLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-11-10(6-8(2)13-14-11)12(15)9-4-5-16-7-9/h4-7,12,15H,3H2,1-2H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol?
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol has a molecular weight of 234.32 g/mol, XLogP of 2.49, 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)-thiophen-3-ylmethanol is sourced from PubChem (CID 105102712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).