2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol

C12H9N3O2 — CID 135449034

IUPAC2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C12H9N3O2/c16-9-5-2-1-4-8(9)11-13-12(15-14-11)10-6-3-7-17-10/h1-7,16H,(H,13,14,15)
InChIKeyISJOSPCZLYWQPW-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.44
Rot. Bonds2

About 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol

2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135449034) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135449034
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C12H9N3O2/c16-9-5-2-1-4-8(9)11-13-12(15-14-11)10-6-3-7-17-10/h1-7,16H,(H,13,14,15)
InChIKeyISJOSPCZLYWQPW-UHFFFAOYSA-N
XLogP2.44
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol 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 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol (CID 135449034) is 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol is Oc1ccccc1-c1n[nH]c(-c2ccco2)n1.
What is the InChIKey of 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is ISJOSPCZLYWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-9-5-2-1-4-8(9)11-13-12(15-14-11)10-6-3-7-17-10/h1-7,16H,(H,13,14,15).
What are the key properties of 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol?
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 227.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135449034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).