2-(3-benzyltriazol-4-yl)propan-2-ol

C12H15N3O — CID 11687175

IUPAC2-(3-benzyltriazol-4-yl)propan-2-ol
SMILESCC(C)(O)c1cnnn1Cc1ccccc1
InChIInChI=1S/C12H15N3O/c1-12(2,16)11-8-13-14-15(11)9-10-6-4-3-5-7-10/h3-8,16H,9H2,1-2H3
InChIKeyRVOGIRDYTJIFBC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.55
Rot. Bonds3

About 2-(3-benzyltriazol-4-yl)propan-2-ol

2-(3-benzyltriazol-4-yl)propan-2-ol (PubChem CID 11687175) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(3-benzyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-benzyltriazol-4-yl)propan-2-ol
PubChem CID11687175
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(3-benzyltriazol-4-yl)propan-2-ol
SMILESCC(C)(O)c1cnnn1Cc1ccccc1
InChIInChI=1S/C12H15N3O/c1-12(2,16)11-8-13-14-15(11)9-10-6-4-3-5-7-10/h3-8,16H,9H2,1-2H3
InChIKeyRVOGIRDYTJIFBC-UHFFFAOYSA-N
XLogP1.55
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyltriazol-4-yl)propan-2-ol?
The IUPAC name of 2-(3-benzyltriazol-4-yl)propan-2-ol (CID 11687175) is 2-(3-benzyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(3-benzyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(3-benzyltriazol-4-yl)propan-2-ol is CC(C)(O)c1cnnn1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyltriazol-4-yl)propan-2-ol?
The InChIKey is RVOGIRDYTJIFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,16)11-8-13-14-15(11)9-10-6-4-3-5-7-10/h3-8,16H,9H2,1-2H3.
What are the key properties of 2-(3-benzyltriazol-4-yl)propan-2-ol?
2-(3-benzyltriazol-4-yl)propan-2-ol has a molecular weight of 217.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 11687175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).