[1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

C16H17N3OS — CID 82198419

IUPAC[1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCCc1ccc(-n2nnc(CO)c2Cc2cccs2)cc1
InChIInChI=1S/C16H17N3OS/c1-2-12-5-7-13(8-6-12)19-16(15(11-20)17-18-19)10-14-4-3-9-21-14/h3-9,20H,2,10-11H2,1H3
InChIKeyJUBUZWDYHPFWIU-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.97
Rot. Bonds5

About [1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

[1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 82198419) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
PubChem CID82198419
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name[1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESCCc1ccc(-n2nnc(CO)c2Cc2cccs2)cc1
InChIInChI=1S/C16H17N3OS/c1-2-12-5-7-13(8-6-12)19-16(15(11-20)17-18-19)10-14-4-3-9-21-14/h3-9,20H,2,10-11H2,1H3
InChIKeyJUBUZWDYHPFWIU-UHFFFAOYSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-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

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (CID 82198419) is [1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is CCc1ccc(-n2nnc(CO)c2Cc2cccs2)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is JUBUZWDYHPFWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-12-5-7-13(8-6-12)19-16(15(11-20)17-18-19)10-14-4-3-9-21-14/h3-9,20H,2,10-11H2,1H3.
What are the key properties of [1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
[1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 299.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82198419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).