1-(2-hydroxyethyl)triazole-4-carboxylic acid

C5H7N3O3 — CID 12554276

IUPAC1-(2-hydroxyethyl)triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCO)nn1
InChIInChI=1S/C5H7N3O3/c9-2-1-8-3-4(5(10)11)6-7-8/h3,9H,1-2H2,(H,10,11)
InChIKeyBNFYIPJNVQYQDM-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.03
Rot. Bonds3

About 1-(2-hydroxyethyl)triazole-4-carboxylic acid

1-(2-hydroxyethyl)triazole-4-carboxylic acid (PubChem CID 12554276) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)triazole-4-carboxylic acid
PubChem CID12554276
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name1-(2-hydroxyethyl)triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCO)nn1
InChIInChI=1S/C5H7N3O3/c9-2-1-8-3-4(5(10)11)6-7-8/h3,9H,1-2H2,(H,10,11)
InChIKeyBNFYIPJNVQYQDM-UHFFFAOYSA-N
XLogP-1.03
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-hydroxyethyl)triazole-4-carboxylic acid 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

1-methyl-1H-1,2,3-triazole-4-carboxylic acid
CID 21766412
ethyl 2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71590932
1-(2-ethoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylic acid
CID 12160911
2-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)acetic acid
CID 23139261
1-(prop-2-en-1-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 44454582
1-(2-hydroxyethyl)-1H-1,2,3-triazole-4-carbaldehyde
CID 10080494
methyl 1-methyl-1H-1,2,3-triazole-4-carboxylate
CID 12618037
methyl 1-(2-hydroxyethyl)-1H-1,2,3-triazole-4-carboxylate
CID 23268967
1-Octyltriazole-4-carboxylic acid
CID 62060247
1-Hexyltriazole-4-carboxylic acid
CID 62060578
1-Decyltriazole-4-carboxylic acid
CID 62223096
1-(6-Hydroxyhexyl)triazole-4-carboxylic acid
CID 107706508

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)triazole-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)triazole-4-carboxylic acid (CID 12554276) is 1-(2-hydroxyethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)triazole-4-carboxylic acid is O=C(O)c1cn(CCO)nn1.
What is the InChIKey of 1-(2-hydroxyethyl)triazole-4-carboxylic acid?
The InChIKey is BNFYIPJNVQYQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c9-2-1-8-3-4(5(10)11)6-7-8/h3,9H,1-2H2,(H,10,11).
What are the key properties of 1-(2-hydroxyethyl)triazole-4-carboxylic acid?
1-(2-hydroxyethyl)triazole-4-carboxylic acid has a molecular weight of 157.13 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 12554276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).