1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid

C10H9N3O3 — CID 115031139

IUPAC1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
SMILESCc1nc(C(=O)O)nn1-c1cccc(O)c1
InChIInChI=1S/C10H9N3O3/c1-6-11-9(10(15)16)12-13(6)7-3-2-4-8(14)5-7/h2-5,14H,1H3,(H,15,16)
InChIKeyUEHLZKNYMOEHRD-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.98
Rot. Bonds2

About 1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid

1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid (PubChem CID 115031139) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
PubChem CID115031139
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
SMILESCc1nc(C(=O)O)nn1-c1cccc(O)c1
InChIInChI=1S/C10H9N3O3/c1-6-11-9(10(15)16)12-13(6)7-3-2-4-8(14)5-7/h2-5,14H,1H3,(H,15,16)
InChIKeyUEHLZKNYMOEHRD-UHFFFAOYSA-N
XLogP0.98
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid (CID 115031139) is 1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid is Cc1nc(C(=O)O)nn1-c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid?
The InChIKey is UEHLZKNYMOEHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-6-11-9(10(15)16)12-13(6)7-3-2-4-8(14)5-7/h2-5,14H,1H3,(H,15,16).
What are the key properties of 1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid?
1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 115031139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).