1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol

C10H13N3OS — CID 107065632

IUPAC1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol
SMILESCn1cc(CC(O)Cc2ccsc2)nn1
InChIInChI=1S/C10H13N3OS/c1-13-6-9(11-12-13)5-10(14)4-8-2-3-15-7-8/h2-3,6-7,10,14H,4-5H2,1H3
InChIKeyQAUOJGNBAFFEIJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.02
Rot. Bonds4

About 1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol

1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol (PubChem CID 107065632) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol
PubChem CID107065632
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol
SMILESCn1cc(CC(O)Cc2ccsc2)nn1
InChIInChI=1S/C10H13N3OS/c1-13-6-9(11-12-13)5-10(14)4-8-2-3-15-7-8/h2-3,6-7,10,14H,4-5H2,1H3
InChIKeyQAUOJGNBAFFEIJ-UHFFFAOYSA-N
XLogP1.02
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol 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-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 63773552
[1-(2-Thiophen-3-ylethyl)triazol-4-yl]methanol
CID 64086709
2-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 64086710
1-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 81444853
4-(2-Methylpyrazol-3-yl)-1-thiophen-3-ylbutan-2-ol
CID 103027959
3-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]propan-1-ol
CID 104093572
1-(1-Methylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-ol
CID 105121136
1-(3-Propyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105127149
1-(3-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128790
1-(1-Methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol
CID 107045765
2-(1-Methyltriazol-4-yl)-1-thiophen-3-ylethanol
CID 107045842
2-(1-Methyltriazol-4-yl)-1-thiophen-2-ylethanol
CID 107045858

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol (CID 107065632) is 1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol is Cn1cc(CC(O)Cc2ccsc2)nn1.
What is the InChIKey of 1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is QAUOJGNBAFFEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-13-6-9(11-12-13)5-10(14)4-8-2-3-15-7-8/h2-3,6-7,10,14H,4-5H2,1H3.
What are the key properties of 1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol?
1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 223.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 107065632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).