1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol

C13H15N3O — CID 81444929

IUPAC1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C13H15N3O/c1-9(17)13-8-16(15-14-13)12-6-5-10-3-2-4-11(10)7-12/h5-9,17H,2-4H2,1H3
InChIKeyVILAIBXWHLWQIZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.81
Rot. Bonds2

About 1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol

1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol (PubChem CID 81444929) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol
PubChem CID81444929
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C13H15N3O/c1-9(17)13-8-16(15-14-13)12-6-5-10-3-2-4-11(10)7-12/h5-9,17H,2-4H2,1H3
InChIKeyVILAIBXWHLWQIZ-UHFFFAOYSA-N
XLogP1.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol (CID 81444929) is 1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol is CC(O)c1cn(-c2ccc3c(c2)CCC3)nn1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol?
The InChIKey is VILAIBXWHLWQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(17)13-8-16(15-14-13)12-6-5-10-3-2-4-11(10)7-12/h5-9,17H,2-4H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol?
1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol has a molecular weight of 229.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol is sourced from PubChem (CID 81444929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).