7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one

C8H3Cl2N5O — CID 10244106

IUPAC7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2n2nnnc12
InChIInChI=1S/C8H3Cl2N5O/c9-3-1-5-6(2-4(3)10)15-7(8(16)11-5)12-13-14-15/h1-2H,(H,11,16)
InChIKeyZIARIUBRSHCMBL-UHFFFAOYSA-N
MW256.05 g/mol
LogP1.27
Rot. Bonds

About 7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one

7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one (PubChem CID 10244106) has the molecular formula C8H3Cl2N5O and a molecular weight of 256.05 g/mol. Its IUPAC name is 7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one
PubChem CID10244106
Molecular FormulaC8H3Cl2N5O
Molecular Weight256.05 g/mol
Exact Mass254.97
IUPAC Name7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2n2nnnc12
InChIInChI=1S/C8H3Cl2N5O/c9-3-1-5-6(2-4(3)10)15-7(8(16)11-5)12-13-14-15/h1-2H,(H,11,16)
InChIKeyZIARIUBRSHCMBL-UHFFFAOYSA-N
XLogP1.27
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one (CID 10244106) is 7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one is O=c1[nH]c2cc(Cl)c(Cl)cc2n2nnnc12.
What is the InChIKey of 7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is ZIARIUBRSHCMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2N5O/c9-3-1-5-6(2-4(3)10)15-7(8(16)11-5)12-13-14-15/h1-2H,(H,11,16).
What are the key properties of 7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one?
7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 256.05 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-5H-tetrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10244106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).