4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole

C15H15N3O — CID 95125911

IUPAC4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole
SMILESc1ccc([C@@H](CCn2cnnc2)c2ccco2)cc1
InChIInChI=1S/C15H15N3O/c1-2-5-13(6-3-1)14(15-7-4-10-19-15)8-9-18-11-16-17-12-18/h1-7,10-12,14H,8-9H2/t14-/m1/s1
InChIKeyHRBVHXIEJVBQED-CQSZACIVSA-N
MW253.31 g/mol
LogP3.09
Rot. Bonds5

About 4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole

4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole (PubChem CID 95125911) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole
PubChem CID95125911
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole
SMILESc1ccc([C@@H](CCn2cnnc2)c2ccco2)cc1
InChIInChI=1S/C15H15N3O/c1-2-5-13(6-3-1)14(15-7-4-10-19-15)8-9-18-11-16-17-12-18/h1-7,10-12,14H,8-9H2/t14-/m1/s1
InChIKeyHRBVHXIEJVBQED-CQSZACIVSA-N
XLogP3.09
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole 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-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole?
The IUPAC name of 4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole (CID 95125911) is 4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole.
What is the SMILES notation for 4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole?
The canonical SMILES for 4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole is c1ccc([C@@H](CCn2cnnc2)c2ccco2)cc1.
What is the InChIKey of 4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole?
The InChIKey is HRBVHXIEJVBQED-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-5-13(6-3-1)14(15-7-4-10-19-15)8-9-18-11-16-17-12-18/h1-7,10-12,14H,8-9H2/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole?
4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole has a molecular weight of 253.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole is sourced from PubChem (CID 95125911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).