(2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol

C11H13N3O — CID 95147348

IUPAC(2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol
SMILESO[C@H](Cc1ccccc1)Cn1cnnc1
InChIInChI=1S/C11H13N3O/c15-11(7-14-8-12-13-9-14)6-10-4-2-1-3-5-10/h1-5,8-9,11,15H,6-7H2/t11-/m1/s1
InChIKeyLXMLLDSOLONUEW-LLVKDONJSA-N
MW203.25 g/mol
LogP0.88
Rot. Bonds4

About (2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol

(2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol (PubChem CID 95147348) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol
PubChem CID95147348
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol
SMILESO[C@H](Cc1ccccc1)Cn1cnnc1
InChIInChI=1S/C11H13N3O/c15-11(7-14-8-12-13-9-14)6-10-4-2-1-3-5-10/h1-5,8-9,11,15H,6-7H2/t11-/m1/s1
InChIKeyLXMLLDSOLONUEW-LLVKDONJSA-N
XLogP0.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol?
The IUPAC name of (2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol (CID 95147348) is (2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol?
The canonical SMILES for (2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol is O[C@H](Cc1ccccc1)Cn1cnnc1.
What is the InChIKey of (2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol?
The InChIKey is LXMLLDSOLONUEW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13N3O/c15-11(7-14-8-12-13-9-14)6-10-4-2-1-3-5-10/h1-5,8-9,11,15H,6-7H2/t11-/m1/s1.
What are the key properties of (2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol?
(2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol has a molecular weight of 203.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol is sourced from PubChem (CID 95147348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).