5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione

C10H6BrN5O2S — CID 79336733

IUPAC5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione
SMILESCn1nnnc1Sc1cc2c(cc1Br)C(=O)C(=O)N2
InChIInChI=1S/C10H6BrN5O2S/c1-16-10(13-14-15-16)19-7-3-6-4(2-5(7)11)8(17)9(18)12-6/h2-3H,1H3,(H,12,17,18)
InChIKeyAPFQMGGLRJIOJJ-UHFFFAOYSA-N
MW340.16 g/mol
LogP1.26
Rot. Bonds2

About 5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione

5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione (PubChem CID 79336733) has the molecular formula C10H6BrN5O2S and a molecular weight of 340.16 g/mol. Its IUPAC name is 5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione
PubChem CID79336733
Molecular FormulaC10H6BrN5O2S
Molecular Weight340.16 g/mol
Exact Mass338.94
IUPAC Name5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione
SMILESCn1nnnc1Sc1cc2c(cc1Br)C(=O)C(=O)N2
InChIInChI=1S/C10H6BrN5O2S/c1-16-10(13-14-15-16)19-7-3-6-4(2-5(7)11)8(17)9(18)12-6/h2-3H,1H3,(H,12,17,18)
InChIKeyAPFQMGGLRJIOJJ-UHFFFAOYSA-N
XLogP1.26
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione (CID 79336733) is 5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione is Cn1nnnc1Sc1cc2c(cc1Br)C(=O)C(=O)N2.
What is the InChIKey of 5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione?
The InChIKey is APFQMGGLRJIOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN5O2S/c1-16-10(13-14-15-16)19-7-3-6-4(2-5(7)11)8(17)9(18)12-6/h2-3H,1H3,(H,12,17,18).
What are the key properties of 5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione?
5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione has a molecular weight of 340.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 79336733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).