N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide

C10H18N4O2 — CID 81061713

IUPACN-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCOCCN(C)C(=O)c1n[nH]c(CC)n1
InChIInChI=1S/C10H18N4O2/c1-4-8-11-9(13-12-8)10(15)14(3)6-7-16-5-2/h4-7H2,1-3H3,(H,11,12,13)
InChIKeyAGXIIMJZVYQGKN-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.48
Rot. Bonds6

About N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide

N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 81061713) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID81061713
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCOCCN(C)C(=O)c1n[nH]c(CC)n1
InChIInChI=1S/C10H18N4O2/c1-4-8-11-9(13-12-8)10(15)14(3)6-7-16-5-2/h4-7H2,1-3H3,(H,11,12,13)
InChIKeyAGXIIMJZVYQGKN-UHFFFAOYSA-N
XLogP0.48
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide (CID 81061713) is N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide is CCOCCN(C)C(=O)c1n[nH]c(CC)n1.
What is the InChIKey of N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is AGXIIMJZVYQGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-8-11-9(13-12-8)10(15)14(3)6-7-16-5-2/h4-7H2,1-3H3,(H,11,12,13).
What are the key properties of N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide?
N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 81061713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).