4-(5-methyl-1,2,4-triazol-1-yl)phenol

C9H9N3O — CID 13019894

IUPAC4-(5-methyl-1,2,4-triazol-1-yl)phenol
SMILESCc1ncnn1-c1ccc(O)cc1
InChIInChI=1S/C9H9N3O/c1-7-10-6-11-12(7)8-2-4-9(13)5-3-8/h2-6,13H,1H3
InChIKeyIOBYAOMOLYSAEW-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.28
Rot. Bonds1

About 4-(5-methyl-1,2,4-triazol-1-yl)phenol

4-(5-methyl-1,2,4-triazol-1-yl)phenol (PubChem CID 13019894) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-triazol-1-yl)phenol.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-triazol-1-yl)phenol
PubChem CID13019894
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(5-methyl-1,2,4-triazol-1-yl)phenol
SMILESCc1ncnn1-c1ccc(O)cc1
InChIInChI=1S/C9H9N3O/c1-7-10-6-11-12(7)8-2-4-9(13)5-3-8/h2-6,13H,1H3
InChIKeyIOBYAOMOLYSAEW-UHFFFAOYSA-N
XLogP1.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,4-Triazol-1-yl)phenol
CID 110064
4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 542910
1-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 11084390
4-(4H-1,2,4-Triazol-4-yl)phenol
CID 25239502
2-(1H-1,2,4-triazol-1-yl)phenol
CID 23055339
3-(1H-1,2,4-triazol-1-yl)phenol
CID 54592961
2-fluoro-4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 58114323
4-(4-Ethoxyphenyl)-3-ethyl-1,2,4-triazole
CID 44437136
3-Ethyl-4-(4-propoxyphenyl)-1,2,4-triazole
CID 44437137
4-(4-Butoxyphenyl)-3-ethyl-1,2,4-triazole
CID 44437138
4-(3-amino-1H-1,2,4-triazol-1-yl)phenol
CID 75453064
1-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazole
CID 117671644

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-triazol-1-yl)phenol?
The IUPAC name of 4-(5-methyl-1,2,4-triazol-1-yl)phenol (CID 13019894) is 4-(5-methyl-1,2,4-triazol-1-yl)phenol.
What is the SMILES notation for 4-(5-methyl-1,2,4-triazol-1-yl)phenol?
The canonical SMILES for 4-(5-methyl-1,2,4-triazol-1-yl)phenol is Cc1ncnn1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-methyl-1,2,4-triazol-1-yl)phenol?
The InChIKey is IOBYAOMOLYSAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7-10-6-11-12(7)8-2-4-9(13)5-3-8/h2-6,13H,1H3.
What are the key properties of 4-(5-methyl-1,2,4-triazol-1-yl)phenol?
4-(5-methyl-1,2,4-triazol-1-yl)phenol has a molecular weight of 175.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-triazol-1-yl)phenol is sourced from PubChem (CID 13019894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).