2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol

C15H21N3O2 — CID 715187

IUPAC2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1nnn(Cc2ccccc2)c1C(C)(C)O
InChIInChI=1S/C15H21N3O2/c1-14(2,19)12-13(15(3,4)20)18(17-16-12)10-11-8-6-5-7-9-11/h5-9,19-20H,10H2,1-4H3
InChIKeyLSDUDRMJEOHKLX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.78
Rot. Bonds4

About 2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol

2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol (PubChem CID 715187) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol
PubChem CID715187
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1nnn(Cc2ccccc2)c1C(C)(C)O
InChIInChI=1S/C15H21N3O2/c1-14(2,19)12-13(15(3,4)20)18(17-16-12)10-11-8-6-5-7-9-11/h5-9,19-20H,10H2,1-4H3
InChIKeyLSDUDRMJEOHKLX-UHFFFAOYSA-N
XLogP1.78
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol (CID 715187) is 2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol is CC(C)(O)c1nnn(Cc2ccccc2)c1C(C)(C)O.
What is the InChIKey of 2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol?
The InChIKey is LSDUDRMJEOHKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-14(2,19)12-13(15(3,4)20)18(17-16-12)10-11-8-6-5-7-9-11/h5-9,19-20H,10H2,1-4H3.
What are the key properties of 2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol?
2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(2-hydroxypropan-2-yl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 715187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).