5-methyl-1-phenyltriazol-4-ol

C9H9N3O — CID 15257136

IUPAC5-methyl-1-phenyltriazol-4-ol
SMILESCc1c(O)nnn1-c1ccccc1
InChIInChI=1S/C9H9N3O/c1-7-9(13)10-11-12(7)8-5-3-2-4-6-8/h2-6,13H,1H3
InChIKeyRRZMYUGRJKIQPV-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.28
Rot. Bonds1

About 5-methyl-1-phenyltriazol-4-ol

5-methyl-1-phenyltriazol-4-ol (PubChem CID 15257136) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-methyl-1-phenyltriazol-4-ol.

Molecular Properties

Compound Name5-methyl-1-phenyltriazol-4-ol
PubChem CID15257136
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-methyl-1-phenyltriazol-4-ol
SMILESCc1c(O)nnn1-c1ccccc1
InChIInChI=1S/C9H9N3O/c1-7-9(13)10-11-12(7)8-5-3-2-4-6-8/h2-6,13H,1H3
InChIKeyRRZMYUGRJKIQPV-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

5-methyl-1-phenyl-4-(4-phenylphenyl)triazole
CID 140714399
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745
2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119187686
5-methyl-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 82200952
3-[ethyl-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119191389
1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine
CID 62254228
4-(4-acetyl-5-methyltriazol-1-yl)benzoic acid
CID 82201518
(4-hydroxy-5-methyl-1-phenylpyrazol-3-yl)methanetriol
CID 91517033
2-methyl-1-phenylpyrrol-3-ol
CID 5324689
N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide
CID 13162125
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide
CID 146124225

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyltriazol-4-ol?
The IUPAC name of 5-methyl-1-phenyltriazol-4-ol (CID 15257136) is 5-methyl-1-phenyltriazol-4-ol.
What is the SMILES notation for 5-methyl-1-phenyltriazol-4-ol?
The canonical SMILES for 5-methyl-1-phenyltriazol-4-ol is Cc1c(O)nnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyltriazol-4-ol?
The InChIKey is RRZMYUGRJKIQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7-9(13)10-11-12(7)8-5-3-2-4-6-8/h2-6,13H,1H3.
What are the key properties of 5-methyl-1-phenyltriazol-4-ol?
5-methyl-1-phenyltriazol-4-ol 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 5-methyl-1-phenyltriazol-4-ol is sourced from PubChem (CID 15257136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).