(1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C12H13N3O — CID 53326695

IUPAC(1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@H]1CCc2ccccc2[C@@H]1n1ccnn1
InChIInChI=1S/C12H13N3O/c16-11-6-5-9-3-1-2-4-10(9)12(11)15-8-7-13-14-15/h1-4,7-8,11-12,16H,5-6H2/t11-,12-/m0/s1
InChIKeyBVJOKFPIDVDDOH-RYUDHWBXSA-N
MW215.26 g/mol
LogP1.17
Rot. Bonds1

About (1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

(1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 53326695) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID53326695
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@H]1CCc2ccccc2[C@@H]1n1ccnn1
InChIInChI=1S/C12H13N3O/c16-11-6-5-9-3-1-2-4-10(9)12(11)15-8-7-13-14-15/h1-4,7-8,11-12,16H,5-6H2/t11-,12-/m0/s1
InChIKeyBVJOKFPIDVDDOH-RYUDHWBXSA-N
XLogP1.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 53326695) is (1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@H]1CCc2ccccc2[C@@H]1n1ccnn1.
What is the InChIKey of (1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is BVJOKFPIDVDDOH-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H13N3O/c16-11-6-5-9-3-1-2-4-10(9)12(11)15-8-7-13-14-15/h1-4,7-8,11-12,16H,5-6H2/t11-,12-/m0/s1.
What are the key properties of (1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 215.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 53326695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).