(3-methyltriazol-4-yl)-thiophen-3-ylmethanol

C8H9N3OS — CID 114684748

IUPAC(3-methyltriazol-4-yl)-thiophen-3-ylmethanol
SMILESCn1nncc1C(O)c1ccsc1
InChIInChI=1S/C8H9N3OS/c1-11-7(4-9-10-11)8(12)6-2-3-13-5-6/h2-5,8,12H,1H3
InChIKeyMNJKLIVHRKGOPI-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.96
Rot. Bonds2

About (3-methyltriazol-4-yl)-thiophen-3-ylmethanol

(3-methyltriazol-4-yl)-thiophen-3-ylmethanol (PubChem CID 114684748) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-thiophen-3-ylmethanol
PubChem CID114684748
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name(3-methyltriazol-4-yl)-thiophen-3-ylmethanol
SMILESCn1nncc1C(O)c1ccsc1
InChIInChI=1S/C8H9N3OS/c1-11-7(4-9-10-11)8(12)6-2-3-13-5-6/h2-5,8,12H,1H3
InChIKeyMNJKLIVHRKGOPI-UHFFFAOYSA-N
XLogP0.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methyltriazol-4-yl)-thiophen-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
Pyrazin-2-yl(thiophen-3-yl)methanol
CID 63970675
[1-(2-Thiophen-3-ylethyl)triazol-4-yl]methanol
CID 64086709
2-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 64086710
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
2-thiophen-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
1-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 81443993
1-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 81444853
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489

Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)-thiophen-3-ylmethanol?
The IUPAC name of (3-methyltriazol-4-yl)-thiophen-3-ylmethanol (CID 114684748) is (3-methyltriazol-4-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (3-methyltriazol-4-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (3-methyltriazol-4-yl)-thiophen-3-ylmethanol is Cn1nncc1C(O)c1ccsc1.
What is the InChIKey of (3-methyltriazol-4-yl)-thiophen-3-ylmethanol?
The InChIKey is MNJKLIVHRKGOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-11-7(4-9-10-11)8(12)6-2-3-13-5-6/h2-5,8,12H,1H3.
What are the key properties of (3-methyltriazol-4-yl)-thiophen-3-ylmethanol?
(3-methyltriazol-4-yl)-thiophen-3-ylmethanol has a molecular weight of 195.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 114684748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).