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

C7H12N4O2 — CID 112731186

IUPAC4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESCOCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H12N4O2/c1-13-4-2-3-6(12)10-7-8-5-9-11-7/h5H,2-4H2,1H3,(H2,8,9,10,11,12)
InChIKeyUKPIIPIOVUWZBL-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.17
Rot. Bonds5

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

4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 112731186) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound Name4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
PubChem CID112731186
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESCOCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H12N4O2/c1-13-4-2-3-6(12)10-7-8-5-9-11-7/h5H,2-4H2,1H3,(H2,8,9,10,11,12)
InChIKeyUKPIIPIOVUWZBL-UHFFFAOYSA-N
XLogP0.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.17
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-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of 4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide (CID 112731186) is 4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for 4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for 4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide is COCCCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is UKPIIPIOVUWZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-13-4-2-3-6(12)10-7-8-5-9-11-7/h5H,2-4H2,1H3,(H2,8,9,10,11,12).
What are the key properties of 4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide?
4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 184.20 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 112731186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).