5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one

C12H12N6OS — CID 43451976

IUPAC5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Sc1nnnn1C1CC1)NC(=O)C2
InChIInChI=1S/C12H12N6OS/c13-8-3-6-4-11(19)14-9(6)5-10(8)20-12-15-16-17-18(12)7-1-2-7/h3,5,7H,1-2,4,13H2,(H,14,19)
InChIKeyCSCPDQHADKERRM-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.24
Rot. Bonds3

About 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one

5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 43451976) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID43451976
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Sc1nnnn1C1CC1)NC(=O)C2
InChIInChI=1S/C12H12N6OS/c13-8-3-6-4-11(19)14-9(6)5-10(8)20-12-15-16-17-18(12)7-1-2-7/h3,5,7H,1-2,4,13H2,(H,14,19)
InChIKeyCSCPDQHADKERRM-UHFFFAOYSA-N
XLogP1.24
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (CID 43451976) is 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is Nc1cc2c(cc1Sc1nnnn1C1CC1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is CSCPDQHADKERRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c13-8-3-6-4-11(19)14-9(6)5-10(8)20-12-15-16-17-18(12)7-1-2-7/h3,5,7H,1-2,4,13H2,(H,14,19).
What are the key properties of 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 288.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).