(2S)-1-(benzotriazol-1-yloxy)propan-2-ol

C9H11N3O2 — CID 130556874

IUPAC(2S)-1-(benzotriazol-1-yloxy)propan-2-ol
SMILESC[C@H](O)COn1nnc2ccccc21
InChIInChI=1S/C9H11N3O2/c1-7(13)6-14-12-9-5-3-2-4-8(9)10-11-12/h2-5,7,13H,6H2,1H3/t7-/m0/s1
InChIKeyYZUGLSDRYCCITQ-ZETCQYMHSA-N
MW193.21 g/mol
LogP0.24
Rot. Bonds3

About (2S)-1-(benzotriazol-1-yloxy)propan-2-ol

(2S)-1-(benzotriazol-1-yloxy)propan-2-ol (PubChem CID 130556874) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (2S)-1-(benzotriazol-1-yloxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(benzotriazol-1-yloxy)propan-2-ol
PubChem CID130556874
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(2S)-1-(benzotriazol-1-yloxy)propan-2-ol
SMILESC[C@H](O)COn1nnc2ccccc21
InChIInChI=1S/C9H11N3O2/c1-7(13)6-14-12-9-5-3-2-4-8(9)10-11-12/h2-5,7,13H,6H2,1H3/t7-/m0/s1
InChIKeyYZUGLSDRYCCITQ-ZETCQYMHSA-N
XLogP0.24
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzotriazol-1-yloxy)propan-2-ol?
The IUPAC name of (2S)-1-(benzotriazol-1-yloxy)propan-2-ol (CID 130556874) is (2S)-1-(benzotriazol-1-yloxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(benzotriazol-1-yloxy)propan-2-ol?
The canonical SMILES for (2S)-1-(benzotriazol-1-yloxy)propan-2-ol is C[C@H](O)COn1nnc2ccccc21.
What is the InChIKey of (2S)-1-(benzotriazol-1-yloxy)propan-2-ol?
The InChIKey is YZUGLSDRYCCITQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7(13)6-14-12-9-5-3-2-4-8(9)10-11-12/h2-5,7,13H,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(benzotriazol-1-yloxy)propan-2-ol?
(2S)-1-(benzotriazol-1-yloxy)propan-2-ol has a molecular weight of 193.21 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzotriazol-1-yloxy)propan-2-ol is sourced from PubChem (CID 130556874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).