ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate

C11H12N6O2 — CID 137187314

IUPACethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate
SMILESCCOC(=O)C(=NNc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C11H12N6O2/c1-2-19-11(18)9(10-14-16-17-15-10)13-12-8-6-4-3-5-7-8/h3-7,12H,2H2,1H3,(H,14,15,16,17)
InChIKeyODTAHGKLTZJYOD-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.58
Rot. Bonds5

About ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate

ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate (PubChem CID 137187314) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate
PubChem CID137187314
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate
SMILESCCOC(=O)C(=NNc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C11H12N6O2/c1-2-19-11(18)9(10-14-16-17-15-10)13-12-8-6-4-3-5-7-8/h3-7,12H,2H2,1H3,(H,14,15,16,17)
InChIKeyODTAHGKLTZJYOD-UHFFFAOYSA-N
XLogP0.58
TPSA105.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
CID 159563587
ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
CID 11616153
ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate
CID 102346634
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
ethyl (2Z,3E)-3-(carbamothioylhydrazinylidene)-2-(phenylhydrazinylidene)butanoate
CID 98518108
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-(phenylhydrazinylidene)acetamide;ethyl 2-[(4-acetylphenyl)hydrazinylidene]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetate
CID 159450732
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 7661905

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate?
The IUPAC name of ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate (CID 137187314) is ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate is CCOC(=O)C(=NNc1ccccc1)c1nn[nH]n1.
What is the InChIKey of ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate?
The InChIKey is ODTAHGKLTZJYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-2-19-11(18)9(10-14-16-17-15-10)13-12-8-6-4-3-5-7-8/h3-7,12H,2H2,1H3,(H,14,15,16,17).
What are the key properties of ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate?
ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate has a molecular weight of 260.26 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate is sourced from PubChem (CID 137187314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).