5H-triazolo[5,1-a]isoindol-1-ylmethanol

C10H9N3O — CID 118173407

IUPAC5H-triazolo[5,1-a]isoindol-1-ylmethanol
SMILESOCc1nnn2c1-c1ccccc1C2
InChIInChI=1S/C10H9N3O/c14-6-9-10-8-4-2-1-3-7(8)5-13(10)12-11-9/h1-4,14H,5-6H2
InChIKeyIDSIBASTNIMWOR-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.80
Rot. Bonds1

About 5H-triazolo[5,1-a]isoindol-1-ylmethanol

5H-triazolo[5,1-a]isoindol-1-ylmethanol (PubChem CID 118173407) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 5H-triazolo[5,1-a]isoindol-1-ylmethanol.

Molecular Properties

Compound Name5H-triazolo[5,1-a]isoindol-1-ylmethanol
PubChem CID118173407
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name5H-triazolo[5,1-a]isoindol-1-ylmethanol
SMILESOCc1nnn2c1-c1ccccc1C2
InChIInChI=1S/C10H9N3O/c14-6-9-10-8-4-2-1-3-7(8)5-13(10)12-11-9/h1-4,14H,5-6H2
InChIKeyIDSIBASTNIMWOR-UHFFFAOYSA-N
XLogP0.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-triazolo[5,1-a]isoindol-1-ylmethanol?
The IUPAC name of 5H-triazolo[5,1-a]isoindol-1-ylmethanol (CID 118173407) is 5H-triazolo[5,1-a]isoindol-1-ylmethanol.
What is the SMILES notation for 5H-triazolo[5,1-a]isoindol-1-ylmethanol?
The canonical SMILES for 5H-triazolo[5,1-a]isoindol-1-ylmethanol is OCc1nnn2c1-c1ccccc1C2.
What is the InChIKey of 5H-triazolo[5,1-a]isoindol-1-ylmethanol?
The InChIKey is IDSIBASTNIMWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-6-9-10-8-4-2-1-3-7(8)5-13(10)12-11-9/h1-4,14H,5-6H2.
What are the key properties of 5H-triazolo[5,1-a]isoindol-1-ylmethanol?
5H-triazolo[5,1-a]isoindol-1-ylmethanol has a molecular weight of 187.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-triazolo[5,1-a]isoindol-1-ylmethanol is sourced from PubChem (CID 118173407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).