(1-thiophen-3-yltriazol-4-yl)methanol

C7H7N3OS — CID 62705428

IUPAC(1-thiophen-3-yltriazol-4-yl)methanol
SMILESOCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C7H7N3OS/c11-4-6-3-10(9-8-6)7-1-2-12-5-7/h1-3,5,11H,4H2
InChIKeyMIDBQKGCKWMYDO-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.82
Rot. Bonds2

About (1-thiophen-3-yltriazol-4-yl)methanol

(1-thiophen-3-yltriazol-4-yl)methanol (PubChem CID 62705428) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is (1-thiophen-3-yltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-thiophen-3-yltriazol-4-yl)methanol
PubChem CID62705428
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name(1-thiophen-3-yltriazol-4-yl)methanol
SMILESOCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C7H7N3OS/c11-4-6-3-10(9-8-6)7-1-2-12-5-7/h1-3,5,11H,4H2
InChIKeyMIDBQKGCKWMYDO-UHFFFAOYSA-N
XLogP0.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-thiophen-3-yltriazol-4-yl)methanol 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

{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanol
CID 62399992
3-[4-[(Thiophen-3-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66352310
2-[4-[(Thiophen-3-ylamino)methyl]triazol-1-yl]ethanol
CID 66352311
1-[1-(Thiophen-3-ylmethyl)triazol-4-yl]ethanol
CID 81445035
1-(thiophen-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 121209097
(1S)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanol
CID 130567429

Frequently Asked Questions

What is the IUPAC name of (1-thiophen-3-yltriazol-4-yl)methanol?
The IUPAC name of (1-thiophen-3-yltriazol-4-yl)methanol (CID 62705428) is (1-thiophen-3-yltriazol-4-yl)methanol.
What is the SMILES notation for (1-thiophen-3-yltriazol-4-yl)methanol?
The canonical SMILES for (1-thiophen-3-yltriazol-4-yl)methanol is OCc1cn(-c2ccsc2)nn1.
What is the InChIKey of (1-thiophen-3-yltriazol-4-yl)methanol?
The InChIKey is MIDBQKGCKWMYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c11-4-6-3-10(9-8-6)7-1-2-12-5-7/h1-3,5,11H,4H2.
What are the key properties of (1-thiophen-3-yltriazol-4-yl)methanol?
(1-thiophen-3-yltriazol-4-yl)methanol has a molecular weight of 181.22 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiophen-3-yltriazol-4-yl)methanol is sourced from PubChem (CID 62705428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).