4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide

C9H16N4O3 — CID 83093695

IUPAC4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide
SMILESCCOCCCC(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C9H16N4O3/c1-3-16-6-4-5-7(14)10-8-11-9(15-2)13-12-8/h3-6H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyKTZUWJTXJNAYLU-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.57
Rot. Bonds7

About 4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide

4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 83093695) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide
PubChem CID83093695
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide
SMILESCCOCCCC(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C9H16N4O3/c1-3-16-6-4-5-7(14)10-8-11-9(15-2)13-12-8/h3-6H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyKTZUWJTXJNAYLU-UHFFFAOYSA-N
XLogP0.57
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of 4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide (CID 83093695) is 4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for 4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for 4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide is CCOCCCC(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of 4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is KTZUWJTXJNAYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-3-16-6-4-5-7(14)10-8-11-9(15-2)13-12-8/h3-6H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide?
4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 228.25 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 83093695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).