ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate

C12H11N5O2 — CID 5467017

IUPACethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\Nc2ccccc2-n2nnnc21
InChIInChI=1S/C12H11N5O2/c1-2-19-11(18)7-9-12-14-15-16-17(12)10-6-4-3-5-8(10)13-9/h3-7,13H,2H2,1H3/b9-7-
InChIKeyMTKFZRXBFHUSDT-CLFYSBASSA-N
MW257.25 g/mol
LogP0.99
Rot. Bonds2

About ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate

ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate (PubChem CID 5467017) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate
PubChem CID5467017
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Nameethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\Nc2ccccc2-n2nnnc21
InChIInChI=1S/C12H11N5O2/c1-2-19-11(18)7-9-12-14-15-16-17(12)10-6-4-3-5-8(10)13-9/h3-7,13H,2H2,1H3/b9-7-
InChIKeyMTKFZRXBFHUSDT-CLFYSBASSA-N
XLogP0.99
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate (CID 5467017) is ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate is CCOC(=O)/C=C1\Nc2ccccc2-n2nnnc21.
What is the InChIKey of ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate?
The InChIKey is MTKFZRXBFHUSDT-CLFYSBASSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-2-19-11(18)7-9-12-14-15-16-17(12)10-6-4-3-5-8(10)13-9/h3-7,13H,2H2,1H3/b9-7-.
What are the key properties of ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate?
ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate has a molecular weight of 257.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate is sourced from PubChem (CID 5467017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).