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

C10H7N5O2S — CID 43586482

IUPAC6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione
SMILESCn1nnnc1Sc1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C10H7N5O2S/c1-15-10(12-13-14-15)18-5-2-3-6-7(4-5)11-9(17)8(6)16/h2-4H,1H3,(H,11,16,17)
InChIKeyKFDIZJOPARWUAM-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.50
Rot. Bonds2

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

6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione (PubChem CID 43586482) has the molecular formula C10H7N5O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione
PubChem CID43586482
Molecular FormulaC10H7N5O2S
Molecular Weight261.27 g/mol
Exact Mass261.03
IUPAC Name6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione
SMILESCn1nnnc1Sc1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C10H7N5O2S/c1-15-10(12-13-14-15)18-5-2-3-6-7(4-5)11-9(17)8(6)16/h2-4H,1H3,(H,11,16,17)
InChIKeyKFDIZJOPARWUAM-UHFFFAOYSA-N
XLogP0.50
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.50
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 6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione?
The IUPAC name of 6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione (CID 43586482) is 6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione is Cn1nnnc1Sc1ccc2c(c1)NC(=O)C2=O.
What is the InChIKey of 6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione?
The InChIKey is KFDIZJOPARWUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2S/c1-15-10(12-13-14-15)18-5-2-3-6-7(4-5)11-9(17)8(6)16/h2-4H,1H3,(H,11,16,17).
What are the key properties of 6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione?
6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione has a molecular weight of 261.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyltetrazol-5-yl)sulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 43586482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).