2-(5-methyl-1,2,4-triazol-1-yl)acetic acid

C5H7N3O2 — CID 82512074

IUPAC2-(5-methyl-1,2,4-triazol-1-yl)acetic acid
SMILESCc1ncnn1CC(=O)O
InChIInChI=1S/C5H7N3O2/c1-4-6-3-7-8(4)2-5(9)10/h3H,2H2,1H3,(H,9,10)
InChIKeyWFPQGQMWACGEII-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.33
Rot. Bonds2

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

2-(5-methyl-1,2,4-triazol-1-yl)acetic acid (PubChem CID 82512074) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-triazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-triazol-1-yl)acetic acid
PubChem CID82512074
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-(5-methyl-1,2,4-triazol-1-yl)acetic acid
SMILESCc1ncnn1CC(=O)O
InChIInChI=1S/C5H7N3O2/c1-4-6-3-7-8(4)2-5(9)10/h3H,2H2,1H3,(H,9,10)
InChIKeyWFPQGQMWACGEII-UHFFFAOYSA-N
XLogP-0.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Triazole-1-acetic acid
CID 1810180
1-methyl-1H-1,2,4-triazole-3-carboxylic acid
CID 21981802
Methyl 1-methyl-1H-1,2,4-triazole-5-carboxylate
CID 13568519
Methyl 1-methyl-1H-[1,2,4]triazole-3-carboxylate
CID 19778899
sodium 1-methyl-1H-1,2,4-triazole-5-carboxylate
CID 126809423
lithium dimethyl-1H-1,2,4-triazole-5-carboxylate
CID 137952283
lithium(1+) dimethyl-1H-1,2,4-triazole-3-carboxylate
CID 137952335
4-Methyl-4H-1,2,4-triazole-3-carboxylic acid
CID 54512152
2-(3-cyano-1H-1,2,4-triazol-1-yl)acetic acid
CID 60710203
2-(dimethyl-1H-1,2,4-triazol-1-yl)acetic acid hydrochloride
CID 67010170
methyl 1-(2-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate
CID 78955701
1-ethyl-1H-1,2,4-triazole-3-carboxylic acid
CID 83815140

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-triazol-1-yl)acetic acid?
The IUPAC name of 2-(5-methyl-1,2,4-triazol-1-yl)acetic acid (CID 82512074) is 2-(5-methyl-1,2,4-triazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-1,2,4-triazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-1,2,4-triazol-1-yl)acetic acid is Cc1ncnn1CC(=O)O.
What is the InChIKey of 2-(5-methyl-1,2,4-triazol-1-yl)acetic acid?
The InChIKey is WFPQGQMWACGEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-4-6-3-7-8(4)2-5(9)10/h3H,2H2,1H3,(H,9,10).
What are the key properties of 2-(5-methyl-1,2,4-triazol-1-yl)acetic acid?
2-(5-methyl-1,2,4-triazol-1-yl)acetic acid has a molecular weight of 141.13 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-triazol-1-yl)acetic acid is sourced from PubChem (CID 82512074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).