1-amino-1,2,4-triazole-3-carboxylic acid

C3H4N4O2 — CID 19980654

IUPAC1-amino-1,2,4-triazole-3-carboxylic acid
SMILESNn1cnc(C(=O)O)n1
InChIInChI=1S/C3H4N4O2/c4-7-1-5-2(6-7)3(8)9/h1H,4H2,(H,8,9)
InChIKeyGWWJHQADLZHJFV-UHFFFAOYSA-N
MW128.09 g/mol
LogP-1.31
Rot. Bonds1

About 1-amino-1,2,4-triazole-3-carboxylic acid

1-amino-1,2,4-triazole-3-carboxylic acid (PubChem CID 19980654) has the molecular formula C3H4N4O2 and a molecular weight of 128.09 g/mol. Its IUPAC name is 1-amino-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name1-amino-1,2,4-triazole-3-carboxylic acid
PubChem CID19980654
Molecular FormulaC3H4N4O2
Molecular Weight128.09 g/mol
Exact Mass128.03
IUPAC Name1-amino-1,2,4-triazole-3-carboxylic acid
SMILESNn1cnc(C(=O)O)n1
InChIInChI=1S/C3H4N4O2/c4-7-1-5-2(6-7)3(8)9/h1H,4H2,(H,8,9)
InChIKeyGWWJHQADLZHJFV-UHFFFAOYSA-N
XLogP-1.31
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 1-amino-1,2,4-triazole-3-carboxylic acid (CID 19980654) is 1-amino-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 1-amino-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 1-amino-1,2,4-triazole-3-carboxylic acid is Nn1cnc(C(=O)O)n1.
What is the InChIKey of 1-amino-1,2,4-triazole-3-carboxylic acid?
The InChIKey is GWWJHQADLZHJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O2/c4-7-1-5-2(6-7)3(8)9/h1H,4H2,(H,8,9).
What are the key properties of 1-amino-1,2,4-triazole-3-carboxylic acid?
1-amino-1,2,4-triazole-3-carboxylic acid has a molecular weight of 128.09 g/mol, XLogP of -1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 19980654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).