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

C10H10N6OS — CID 43383198

IUPAC5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCn1nnnc1Sc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C10H10N6OS/c1-16-10(13-14-15-16)18-8-4-7-5(2-6(8)11)3-9(17)12-7/h2,4H,3,11H2,1H3,(H,12,17)
InChIKeyHNXGKNWDEJTYSJ-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.44
Rot. Bonds2

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

5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 43383198) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is 5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID43383198
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC Name5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCn1nnnc1Sc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C10H10N6OS/c1-16-10(13-14-15-16)18-8-4-7-5(2-6(8)11)3-9(17)12-7/h2,4H,3,11H2,1H3,(H,12,17)
InChIKeyHNXGKNWDEJTYSJ-UHFFFAOYSA-N
XLogP0.44
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.44
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-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one (CID 43383198) is 5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is Cn1nnnc1Sc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is HNXGKNWDEJTYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-16-10(13-14-15-16)18-8-4-7-5(2-6(8)11)3-9(17)12-7/h2,4H,3,11H2,1H3,(H,12,17).
What are the key properties of 5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one?
5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 262.30 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-methyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43383198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).