1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid

C5H7N5O3 — CID 134692212

IUPAC1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid
SMILESNNC(=O)Cn1cnc(C(=O)O)n1
InChIInChI=1S/C5H7N5O3/c6-8-3(11)1-10-2-7-4(9-10)5(12)13/h2H,1,6H2,(H,8,11)(H,12,13)
InChIKeyZYEQKRGJGGRGEI-UHFFFAOYSA-N
MW185.14 g/mol
LogP-2.03
Rot. Bonds3

About 1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid

1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid (PubChem CID 134692212) has the molecular formula C5H7N5O3 and a molecular weight of 185.14 g/mol. Its IUPAC name is 1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid
PubChem CID134692212
Molecular FormulaC5H7N5O3
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC Name1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid
SMILESNNC(=O)Cn1cnc(C(=O)O)n1
InChIInChI=1S/C5H7N5O3/c6-8-3(11)1-10-2-7-4(9-10)5(12)13/h2H,1,6H2,(H,8,11)(H,12,13)
InChIKeyZYEQKRGJGGRGEI-UHFFFAOYSA-N
XLogP-2.03
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid (CID 134692212) is 1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid is NNC(=O)Cn1cnc(C(=O)O)n1.
What is the InChIKey of 1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid?
The InChIKey is ZYEQKRGJGGRGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O3/c6-8-3(11)1-10-2-7-4(9-10)5(12)13/h2H,1,6H2,(H,8,11)(H,12,13).
What are the key properties of 1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid?
1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid has a molecular weight of 185.14 g/mol, XLogP of -2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinyl-2-oxoethyl)-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 134692212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).