4-phenyl-1-(triazol-1-yl)butan-2-ol

C12H15N3O — CID 44604577

IUPAC4-phenyl-1-(triazol-1-yl)butan-2-ol
SMILESOC(CCc1ccccc1)Cn1ccnn1
InChIInChI=1S/C12H15N3O/c16-12(10-15-9-8-13-14-15)7-6-11-4-2-1-3-5-11/h1-5,8-9,12,16H,6-7,10H2
InChIKeyDINOFDSAPDNRMU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.27
Rot. Bonds5

About 4-phenyl-1-(triazol-1-yl)butan-2-ol

4-phenyl-1-(triazol-1-yl)butan-2-ol (PubChem CID 44604577) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-phenyl-1-(triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-phenyl-1-(triazol-1-yl)butan-2-ol
PubChem CID44604577
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-phenyl-1-(triazol-1-yl)butan-2-ol
SMILESOC(CCc1ccccc1)Cn1ccnn1
InChIInChI=1S/C12H15N3O/c16-12(10-15-9-8-13-14-15)7-6-11-4-2-1-3-5-11/h1-5,8-9,12,16H,6-7,10H2
InChIKeyDINOFDSAPDNRMU-UHFFFAOYSA-N
XLogP1.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-1-(triazol-1-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(triazol-1-yl)butan-2-ol?
The IUPAC name of 4-phenyl-1-(triazol-1-yl)butan-2-ol (CID 44604577) is 4-phenyl-1-(triazol-1-yl)butan-2-ol.
What is the SMILES notation for 4-phenyl-1-(triazol-1-yl)butan-2-ol?
The canonical SMILES for 4-phenyl-1-(triazol-1-yl)butan-2-ol is OC(CCc1ccccc1)Cn1ccnn1.
What is the InChIKey of 4-phenyl-1-(triazol-1-yl)butan-2-ol?
The InChIKey is DINOFDSAPDNRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12(10-15-9-8-13-14-15)7-6-11-4-2-1-3-5-11/h1-5,8-9,12,16H,6-7,10H2.
What are the key properties of 4-phenyl-1-(triazol-1-yl)butan-2-ol?
4-phenyl-1-(triazol-1-yl)butan-2-ol has a molecular weight of 217.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(triazol-1-yl)butan-2-ol is sourced from PubChem (CID 44604577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).