(4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol

C9H11N3OS — CID 114686658

IUPAC(4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCc1cscc1C(O)c1cnnn1C
InChIInChI=1S/C9H11N3OS/c1-6-4-14-5-7(6)9(13)8-3-10-11-12(8)2/h3-5,9,13H,1-2H3
InChIKeyKOJGUMKEFBZPFN-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.27
Rot. Bonds2

About (4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol

(4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 114686658) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID114686658
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCc1cscc1C(O)c1cnnn1C
InChIInChI=1S/C9H11N3OS/c1-6-4-14-5-7(6)9(13)8-3-10-11-12(8)2/h3-5,9,13H,1-2H3
InChIKeyKOJGUMKEFBZPFN-UHFFFAOYSA-N
XLogP1.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
CID 112745722
(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
(4-Methylthiophen-3-yl)-pyrazin-2-ylmethanol
CID 80230589
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
1-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 81444853
(3-Chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 103408272
(5-Bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 105126972
1-(3-Propyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105127149
(5-Bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 105128677
1-(3-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128790
(5-Bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-Bromo-3-methyltriazol-4-yl)-(4-methylthiophen-3-yl)methanol
CID 106461917

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol (CID 114686658) is (4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol is Cc1cscc1C(O)c1cnnn1C.
What is the InChIKey of (4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is KOJGUMKEFBZPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-4-14-5-7(6)9(13)8-3-10-11-12(8)2/h3-5,9,13H,1-2H3.
What are the key properties of (4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
(4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 209.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114686658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).