7-bromo-4-methyltetrazolo[1,5-a]quinoxaline

C9H6BrN5 — CID 13487191

IUPAC7-bromo-4-methyltetrazolo[1,5-a]quinoxaline
SMILESCc1nc2cc(Br)ccc2n2nnnc12
InChIInChI=1S/C9H6BrN5/c1-5-9-12-13-14-15(9)8-3-2-6(10)4-7(8)11-5/h2-4H,1H3
InChIKeySLRBRBGMQOKIFX-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.74
Rot. Bonds

About 7-bromo-4-methyltetrazolo[1,5-a]quinoxaline

7-bromo-4-methyltetrazolo[1,5-a]quinoxaline (PubChem CID 13487191) has the molecular formula C9H6BrN5 and a molecular weight of 264.09 g/mol. Its IUPAC name is 7-bromo-4-methyltetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name7-bromo-4-methyltetrazolo[1,5-a]quinoxaline
PubChem CID13487191
Molecular FormulaC9H6BrN5
Molecular Weight264.09 g/mol
Exact Mass262.98
IUPAC Name7-bromo-4-methyltetrazolo[1,5-a]quinoxaline
SMILESCc1nc2cc(Br)ccc2n2nnnc12
InChIInChI=1S/C9H6BrN5/c1-5-9-12-13-14-15(9)8-3-2-6(10)4-7(8)11-5/h2-4H,1H3
InChIKeySLRBRBGMQOKIFX-UHFFFAOYSA-N
XLogP1.74
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyltetrazolo[1,5-a]quinoxaline?
The IUPAC name of 7-bromo-4-methyltetrazolo[1,5-a]quinoxaline (CID 13487191) is 7-bromo-4-methyltetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 7-bromo-4-methyltetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 7-bromo-4-methyltetrazolo[1,5-a]quinoxaline is Cc1nc2cc(Br)ccc2n2nnnc12.
What is the InChIKey of 7-bromo-4-methyltetrazolo[1,5-a]quinoxaline?
The InChIKey is SLRBRBGMQOKIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5/c1-5-9-12-13-14-15(9)8-3-2-6(10)4-7(8)11-5/h2-4H,1H3.
What are the key properties of 7-bromo-4-methyltetrazolo[1,5-a]quinoxaline?
7-bromo-4-methyltetrazolo[1,5-a]quinoxaline has a molecular weight of 264.09 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyltetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 13487191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).