(2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide

C8H12FN5O2 — CID 88751344

IUPAC(2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide
SMILESCNC(=O)/C(=N/O)C(C)(C)n1cnc(F)n1
InChIInChI=1S/C8H12FN5O2/c1-8(2,5(13-16)6(15)10-3)14-4-11-7(9)12-14/h4,16H,1-3H3,(H,10,15)/b13-5-
InChIKeyCBAUGGWVXNVXBS-ACAGNQJTSA-N
MW229.22 g/mol
LogP-0.27
Rot. Bonds3

About (2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide

(2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide (PubChem CID 88751344) has the molecular formula C8H12FN5O2 and a molecular weight of 229.22 g/mol. Its IUPAC name is (2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide
PubChem CID88751344
Molecular FormulaC8H12FN5O2
Molecular Weight229.22 g/mol
Exact Mass229.10
IUPAC Name(2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide
SMILESCNC(=O)/C(=N/O)C(C)(C)n1cnc(F)n1
InChIInChI=1S/C8H12FN5O2/c1-8(2,5(13-16)6(15)10-3)14-4-11-7(9)12-14/h4,16H,1-3H3,(H,10,15)/b13-5-
InChIKeyCBAUGGWVXNVXBS-ACAGNQJTSA-N
XLogP-0.27
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide?
The IUPAC name of (2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide (CID 88751344) is (2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide.
What is the SMILES notation for (2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide?
The canonical SMILES for (2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide is CNC(=O)/C(=N/O)C(C)(C)n1cnc(F)n1.
What is the InChIKey of (2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide?
The InChIKey is CBAUGGWVXNVXBS-ACAGNQJTSA-N. The full InChI is InChI=1S/C8H12FN5O2/c1-8(2,5(13-16)6(15)10-3)14-4-11-7(9)12-14/h4,16H,1-3H3,(H,10,15)/b13-5-.
What are the key properties of (2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide?
(2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide has a molecular weight of 229.22 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(3-fluoro-1,2,4-triazol-1-yl)-2-hydroxyimino-N,3-dimethylbutanamide is sourced from PubChem (CID 88751344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).