6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol

C9H12N2OS — CID 129297022

IUPAC6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol
SMILESOC1c2[nH]ncc2CCC1C1CS1
InChIInChI=1S/C9H12N2OS/c12-9-6(7-4-13-7)2-1-5-3-10-11-8(5)9/h3,6-7,9,12H,1-2,4H2,(H,10,11)
InChIKeyKUZNEDFNYYVWEI-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.12
Rot. Bonds1

About 6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol

6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol (PubChem CID 129297022) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol.

Molecular Properties

Compound Name6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol
PubChem CID129297022
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol
SMILESOC1c2[nH]ncc2CCC1C1CS1
InChIInChI=1S/C9H12N2OS/c12-9-6(7-4-13-7)2-1-5-3-10-11-8(5)9/h3,6-7,9,12H,1-2,4H2,(H,10,11)
InChIKeyKUZNEDFNYYVWEI-UHFFFAOYSA-N
XLogP1.12
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol?
The IUPAC name of 6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol (CID 129297022) is 6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol.
What is the SMILES notation for 6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol?
The canonical SMILES for 6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol is OC1c2[nH]ncc2CCC1C1CS1.
What is the InChIKey of 6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol?
The InChIKey is KUZNEDFNYYVWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9-6(7-4-13-7)2-1-5-3-10-11-8(5)9/h3,6-7,9,12H,1-2,4H2,(H,10,11).
What are the key properties of 6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol?
6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol has a molecular weight of 196.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiiran-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-ol is sourced from PubChem (CID 129297022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).