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

C11H13N3O — CID 19849797

IUPAC1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1ccccc1)Cn1cncn1
InChIInChI=1S/C11H13N3O/c15-11(7-14-9-12-8-13-14)6-10-4-2-1-3-5-10/h1-5,8-9,11,15H,6-7H2
InChIKeyAEMFKWCHSLHKGS-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.88
Rot. Bonds4

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

1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 19849797) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID19849797
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1ccccc1)Cn1cncn1
InChIInChI=1S/C11H13N3O/c15-11(7-14-9-12-8-13-14)6-10-4-2-1-3-5-10/h1-5,8-9,11,15H,6-7H2
InChIKeyAEMFKWCHSLHKGS-UHFFFAOYSA-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 1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 19849797) is 1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(Cc1ccccc1)Cn1cncn1.
What is the InChIKey of 1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is AEMFKWCHSLHKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c15-11(7-14-9-12-8-13-14)6-10-4-2-1-3-5-10/h1-5,8-9,11,15H,6-7H2.
What are the key properties of 1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-phenyl-3-(1,2,4-triazol-1-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 1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 19849797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).