N-ethoxy-2H-triazole-4-carboxamide

C5H8N4O2 — CID 61071491

IUPACN-ethoxy-2H-triazole-4-carboxamide
SMILESCCONC(=O)c1cn[nH]n1
InChIInChI=1S/C5H8N4O2/c1-2-11-8-5(10)4-3-6-9-7-4/h3H,2H2,1H3,(H,8,10)(H,6,7,9)
InChIKeyKHCZKYJARDTTIY-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.51
Rot. Bonds3

About N-ethoxy-2H-triazole-4-carboxamide

N-ethoxy-2H-triazole-4-carboxamide (PubChem CID 61071491) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is N-ethoxy-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-ethoxy-2H-triazole-4-carboxamide
PubChem CID61071491
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC NameN-ethoxy-2H-triazole-4-carboxamide
SMILESCCONC(=O)c1cn[nH]n1
InChIInChI=1S/C5H8N4O2/c1-2-11-8-5(10)4-3-6-9-7-4/h3H,2H2,1H3,(H,8,10)(H,6,7,9)
InChIKeyKHCZKYJARDTTIY-UHFFFAOYSA-N
XLogP-0.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2H-triazole-4-carboxamide?
The IUPAC name of N-ethoxy-2H-triazole-4-carboxamide (CID 61071491) is N-ethoxy-2H-triazole-4-carboxamide.
What is the SMILES notation for N-ethoxy-2H-triazole-4-carboxamide?
The canonical SMILES for N-ethoxy-2H-triazole-4-carboxamide is CCONC(=O)c1cn[nH]n1.
What is the InChIKey of N-ethoxy-2H-triazole-4-carboxamide?
The InChIKey is KHCZKYJARDTTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-2-11-8-5(10)4-3-6-9-7-4/h3H,2H2,1H3,(H,8,10)(H,6,7,9).
What are the key properties of N-ethoxy-2H-triazole-4-carboxamide?
N-ethoxy-2H-triazole-4-carboxamide has a molecular weight of 156.15 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2H-triazole-4-carboxamide is sourced from PubChem (CID 61071491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).