(2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide

C9H15N5O2 — CID 88750156

IUPAC(2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide
SMILESCNC(=O)/C(=N/O)C(C)(C)n1cnc(C)n1
InChIInChI=1S/C9H15N5O2/c1-6-11-5-14(12-6)9(2,3)7(13-16)8(15)10-4/h5,16H,1-4H3,(H,10,15)/b13-7-
InChIKeyNFWIZTRZFVLEOW-QPEQYQDCSA-N
MW225.25 g/mol
LogP-0.10
Rot. Bonds3

About (2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide

(2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide (PubChem CID 88750156) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide
PubChem CID88750156
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name(2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide
SMILESCNC(=O)/C(=N/O)C(C)(C)n1cnc(C)n1
InChIInChI=1S/C9H15N5O2/c1-6-11-5-14(12-6)9(2,3)7(13-16)8(15)10-4/h5,16H,1-4H3,(H,10,15)/b13-7-
InChIKeyNFWIZTRZFVLEOW-QPEQYQDCSA-N
XLogP-0.10
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.10
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)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide 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)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide?
The IUPAC name of (2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide (CID 88750156) is (2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for (2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide is CNC(=O)/C(=N/O)C(C)(C)n1cnc(C)n1.
What is the InChIKey of (2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide?
The InChIKey is NFWIZTRZFVLEOW-QPEQYQDCSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-6-11-5-14(12-6)9(2,3)7(13-16)8(15)10-4/h5,16H,1-4H3,(H,10,15)/b13-7-.
What are the key properties of (2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide?
(2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide has a molecular weight of 225.25 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N,3-dimethyl-3-(3-methyl-1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 88750156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).