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

C9H15N5O3 — CID 88749967

IUPAC(2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide
SMILESCNC(=O)/C(=N/O)C(C)(C)n1cnc(OC)n1
InChIInChI=1S/C9H15N5O3/c1-9(2,6(13-16)7(15)10-3)14-5-11-8(12-14)17-4/h5,16H,1-4H3,(H,10,15)/b13-6-
InChIKeyAZMSSTXGAMXUOZ-MLPAPPSSSA-N
MW241.25 g/mol
LogP-0.40
Rot. Bonds4

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

(2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide (PubChem CID 88749967) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide
PubChem CID88749967
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name(2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide
SMILESCNC(=O)/C(=N/O)C(C)(C)n1cnc(OC)n1
InChIInChI=1S/C9H15N5O3/c1-9(2,6(13-16)7(15)10-3)14-5-11-8(12-14)17-4/h5,16H,1-4H3,(H,10,15)/b13-6-
InChIKeyAZMSSTXGAMXUOZ-MLPAPPSSSA-N
XLogP-0.40
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide?
The IUPAC name of (2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide (CID 88749967) is (2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide?
The canonical SMILES for (2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide is CNC(=O)/C(=N/O)C(C)(C)n1cnc(OC)n1.
What is the InChIKey of (2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide?
The InChIKey is AZMSSTXGAMXUOZ-MLPAPPSSSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-9(2,6(13-16)7(15)10-3)14-5-11-8(12-14)17-4/h5,16H,1-4H3,(H,10,15)/b13-6-.
What are the key properties of (2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide?
(2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide has a molecular weight of 241.25 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-3-(3-methoxy-1,2,4-triazol-1-yl)-N,3-dimethylbutanamide is sourced from PubChem (CID 88749967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).