5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid

C6H8N4O3 — CID 117214061

IUPAC5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid
SMILESCCNC(=O)c1n[nH]nc1C(=O)O
InChIInChI=1S/C6H8N4O3/c1-2-7-5(11)3-4(6(12)13)9-10-8-3/h2H2,1H3,(H,7,11)(H,12,13)(H,8,9,10)
InChIKeyREOUWAHNYLOSQE-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.75
Rot. Bonds3

About 5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid

5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid (PubChem CID 117214061) has the molecular formula C6H8N4O3 and a molecular weight of 184.15 g/mol. Its IUPAC name is 5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid
PubChem CID117214061
Molecular FormulaC6H8N4O3
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid
SMILESCCNC(=O)c1n[nH]nc1C(=O)O
InChIInChI=1S/C6H8N4O3/c1-2-7-5(11)3-4(6(12)13)9-10-8-3/h2H2,1H3,(H,7,11)(H,12,13)(H,8,9,10)
InChIKeyREOUWAHNYLOSQE-UHFFFAOYSA-N
XLogP-0.75
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid (CID 117214061) is 5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid is CCNC(=O)c1n[nH]nc1C(=O)O.
What is the InChIKey of 5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid?
The InChIKey is REOUWAHNYLOSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-2-7-5(11)3-4(6(12)13)9-10-8-3/h2H2,1H3,(H,7,11)(H,12,13)(H,8,9,10).
What are the key properties of 5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid?
5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylcarbamoyl)-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 117214061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).