2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol

C12H15N3O — CID 659949

IUPAC2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCc1nc(C(C)(C)O)n(-c2ccccc2)n1
InChIInChI=1S/C12H15N3O/c1-9-13-11(12(2,3)16)15(14-9)10-7-5-4-6-8-10/h4-8,16H,1-3H3
InChIKeyZDAJSLOGXYNHMJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.80
Rot. Bonds2

About 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol

2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 659949) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID659949
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCc1nc(C(C)(C)O)n(-c2ccccc2)n1
InChIInChI=1S/C12H15N3O/c1-9-13-11(12(2,3)16)15(14-9)10-7-5-4-6-8-10/h4-8,16H,1-3H3
InChIKeyZDAJSLOGXYNHMJ-UHFFFAOYSA-N
XLogP1.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol (CID 659949) is 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol is Cc1nc(C(C)(C)O)n(-c2ccccc2)n1.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is ZDAJSLOGXYNHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-13-11(12(2,3)16)15(14-9)10-7-5-4-6-8-10/h4-8,16H,1-3H3.
What are the key properties of 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol?
2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 217.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 659949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).