N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
Basic information
- CAS
350023-56-2- Standard SMILES
Cc1nn(C)cc1/C=N/NC(=O)Cn1cncn1- InChIKey
HOTLAGCFDIVUSM-KGVSQERTSA-N- Molecular formula
- C10H13N7O
- Average molar mass
- 247.26 g/mol
- Monoisotopic mass
- 247.11815806
Names & identifiers
- Preferred name
- N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
- IUPAC
- N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
Names & synonyms
N'-[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazideN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide350023-56-2MLS000780199CHEMBL3214211DTXSID601329368STK541216AKOS005471128SMR000420381(E)-N'-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-2-(1H-1,2,4-triazol-1-yl)acetohydrazide[1,2,4]Triazol-1-yl-acetic acid [1-(1,3-dimethyl-1H-pyrazol-4-yl)-meth-(E)-ylidene]-hydrazide
Database identifiers
- CAS
350023-56-2- PubChem CID
- 6866652
- DTXSID
DTXSID601329368- ChEMBL
CHEMBL3214211
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
Solubility1.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…