4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide

C8H14N4O2 — CID 112728064

IUPAC4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESCCOCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H14N4O2/c1-2-14-5-3-4-7(13)11-8-9-6-10-12-8/h6H,2-5H2,1H3,(H2,9,10,11,12,13)
InChIKeyRSUKMUWIAJCOPG-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.56
Rot. Bonds6

About 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide

4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 112728064) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound Name4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
PubChem CID112728064
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESCCOCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H14N4O2/c1-2-14-5-3-4-7(13)11-8-9-6-10-12-8/h6H,2-5H2,1H3,(H2,9,10,11,12,13)
InChIKeyRSUKMUWIAJCOPG-UHFFFAOYSA-N
XLogP0.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
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 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide (CID 112728064) is 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide is CCOCCCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is RSUKMUWIAJCOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-14-5-3-4-7(13)11-8-9-6-10-12-8/h6H,2-5H2,1H3,(H2,9,10,11,12,13).
What are the key properties of 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 198.23 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 112728064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).