(2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol

C9H8F3N3OS — CID 112745722

IUPAC(2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCn1ncc(C(O)c2cscc2C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3OS/c1-15-13-2-7(14-15)8(16)5-3-17-4-6(5)9(10,11)12/h2-4,8,16H,1H3
InChIKeyQGQLSSWWYYEADY-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.98
Rot. Bonds2

About (2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol

(2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (PubChem CID 112745722) has the molecular formula C9H8F3N3OS and a molecular weight of 263.24 g/mol. Its IUPAC name is (2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name(2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
PubChem CID112745722
Molecular FormulaC9H8F3N3OS
Molecular Weight263.24 g/mol
Exact Mass263.03
IUPAC Name(2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCn1ncc(C(O)c2cscc2C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3OS/c1-15-13-2-7(14-15)8(16)5-3-17-4-6(5)9(10,11)12/h2-4,8,16H,1H3
InChIKeyQGQLSSWWYYEADY-UHFFFAOYSA-N
XLogP1.98
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(2-methyltriazol-4-yl)methanol
CID 130603747
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
(4-bromothiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494632
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
(3-Methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 114684748
(3-Propyltriazol-4-yl)-thiophen-3-ylmethanol
CID 114684749
(4-Methylthiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 114686656
(4-Methylthiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 114686658
(5-Bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol
CID 126985506
1-(2-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 130521690

Frequently Asked Questions

What is the IUPAC name of (2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The IUPAC name of (2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (CID 112745722) is (2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.
What is the SMILES notation for (2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The canonical SMILES for (2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is Cn1ncc(C(O)c2cscc2C(F)(F)F)n1.
What is the InChIKey of (2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The InChIKey is QGQLSSWWYYEADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3OS/c1-15-13-2-7(14-15)8(16)5-3-17-4-6(5)9(10,11)12/h2-4,8,16H,1H3.
What are the key properties of (2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
(2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol has a molecular weight of 263.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is sourced from PubChem (CID 112745722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).