Ethyl 3-(4-(2-tetrazolyl)-phenylhydrazino)-4-oxopentanoate (HCID 53974079)

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Basic information

Standard SMILES: CCOC(=O)CC(NNc1ccc(-n2ncnn2)cc1)C(C)=O
InChIKey: JTQSYDWDEXGYLP-UHFFFAOYSA-N
Molecular formula: C14H18N6O3
Average molar mass: 318.33 g/mol
Monoisotopic mass: 318.14403846

Names & identifiers

Preferred name: Ethyl 3-(4-(2-tetrazolyl)-phenylhydrazino)-4-oxopentanoate
IUPAC: ethyl 4-oxo-3-[2-[4-(tetrazol-2-yl)phenyl]hydrazinyl]pentanoate

Names & synonyms

SCHEMBL7985132JTQSYDWDEXGYLP-UHFFFAOYSA-NEthyl 3-(4-(2-tetrazolyl)-phenvlhvdrazino)-4-oxopentanoateEthyl 3-(4-(2-tetrazolyl)-phenylhydrazino)-4-oxopentanoate

Database identifiers

PubChem CID: 53974079

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 111 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 23
Formal charge: 0
Complexity: 400

Related reactions

5 records

New reaction record

HRID 399419As productuspto-grants-1998_10

HRID 567699As productuspto-grants-2001_01

HRID 650232As productuspto-grants-2001_08

HRID 1584746As productuspto-grants-1999_08

HRID 2338591As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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