3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol

C12H15N3O2 — CID 141010071

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol
SMILESCOc1ccc(-c2ncn(CCCO)n2)cc1
InChIInChI=1S/C12H15N3O2/c1-17-11-5-3-10(4-6-11)12-13-9-15(14-12)7-2-8-16/h3-6,9,16H,2,7-8H2,1H3
InChIKeyUUDXFPDHRXDXLM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.34
Rot. Bonds5

About 3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol

3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol (PubChem CID 141010071) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol
PubChem CID141010071
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol
SMILESCOc1ccc(-c2ncn(CCCO)n2)cc1
InChIInChI=1S/C12H15N3O2/c1-17-11-5-3-10(4-6-11)12-13-9-15(14-12)7-2-8-16/h3-6,9,16H,2,7-8H2,1H3
InChIKeyUUDXFPDHRXDXLM-UHFFFAOYSA-N
XLogP1.34
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-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

4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol
CID 10592065
5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
CID 118336678
[4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol
CID 164807043
3-[1-hydroxy-2-[[4-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methylbutan-2-yl]amino]ethyl]-2-(hydroxymethyl)phenol
CID 91048444
3-(4-methoxypyrazol-1-yl)propan-1-ol
CID 130511177
1-[3-(4-methoxyphenoxy)propyl]-1,2,4-triazole-3-carbonitrile
CID 24604239
3-(3-hydroxypropyl)-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 110892016
3-(3-bromo-1,2,4-triazol-1-yl)propan-1-ol
CID 91641325
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
3-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81367670
2-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine
CID 162403536
1-(3-chloropropyl)-4-(4-methoxyphenyl)pyrazole
CID 22715717

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol (CID 141010071) is 3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol is COc1ccc(-c2ncn(CCCO)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol?
The InChIKey is UUDXFPDHRXDXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-11-5-3-10(4-6-11)12-13-9-15(14-12)7-2-8-16/h3-6,9,16H,2,7-8H2,1H3.
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol?
3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol has a molecular weight of 233.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propan-1-ol is sourced from PubChem (CID 141010071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).