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

C11H13N3O — CID 115022972

IUPAC2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCC(C)(O)c1ncnn1-c1ccccc1
InChIInChI=1S/C11H13N3O/c1-11(2,15)10-12-8-13-14(10)9-6-4-3-5-7-9/h3-8,15H,1-2H3
InChIKeyGOCUJVNUABYDPK-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.49
Rot. Bonds2

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

2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 115022972) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID115022972
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCC(C)(O)c1ncnn1-c1ccccc1
InChIInChI=1S/C11H13N3O/c1-11(2,15)10-12-8-13-14(10)9-6-4-3-5-7-9/h3-8,15H,1-2H3
InChIKeyGOCUJVNUABYDPK-UHFFFAOYSA-N
XLogP1.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol (CID 115022972) is 2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol is CC(C)(O)c1ncnn1-c1ccccc1.
What is the InChIKey of 2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is GOCUJVNUABYDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-11(2,15)10-12-8-13-14(10)9-6-4-3-5-7-9/h3-8,15H,1-2H3.
What are the key properties of 2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol?
2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 203.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 115022972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).