3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid

C4H4N4O3 — CID 59783136

IUPAC3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid
SMILESNC(=O)c1n[nH]c(C(=O)O)n1
InChIInChI=1S/C4H4N4O3/c5-1(9)2-6-3(4(10)11)8-7-2/h(H2,5,9)(H,10,11)(H,6,7,8)
InChIKeyXZFCENVXUXPZIF-UHFFFAOYSA-N
MW156.10 g/mol
LogP-1.40
Rot. Bonds2

About 3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid

3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid (PubChem CID 59783136) has the molecular formula C4H4N4O3 and a molecular weight of 156.10 g/mol. Its IUPAC name is 3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid
PubChem CID59783136
Molecular FormulaC4H4N4O3
Molecular Weight156.10 g/mol
Exact Mass156.03
IUPAC Name3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid
SMILESNC(=O)c1n[nH]c(C(=O)O)n1
InChIInChI=1S/C4H4N4O3/c5-1(9)2-6-3(4(10)11)8-7-2/h(H2,5,9)(H,10,11)(H,6,7,8)
InChIKeyXZFCENVXUXPZIF-UHFFFAOYSA-N
XLogP-1.40
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid?
The IUPAC name of 3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid (CID 59783136) is 3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid?
The canonical SMILES for 3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid is NC(=O)c1n[nH]c(C(=O)O)n1.
What is the InChIKey of 3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid?
The InChIKey is XZFCENVXUXPZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3/c5-1(9)2-6-3(4(10)11)8-7-2/h(H2,5,9)(H,10,11)(H,6,7,8).
What are the key properties of 3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid?
3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid has a molecular weight of 156.10 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-1H-1,2,4-triazole-5-carboxylic acid is sourced from PubChem (CID 59783136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).