3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole

C16H13N3O — CID 115393448

IUPAC3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2C2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H13N3O/c1-2-7-13(8-3-1)19-11-17-18-16(19)15-10-12-6-4-5-9-14(12)20-15/h1-9,11,15H,10H2
InChIKeyUJYOCVUWEUUJPC-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.94
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole

3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole (PubChem CID 115393448) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole
PubChem CID115393448
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2C2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H13N3O/c1-2-7-13(8-3-1)19-11-17-18-16(19)15-10-12-6-4-5-9-14(12)20-15/h1-9,11,15H,10H2
InChIKeyUJYOCVUWEUUJPC-UHFFFAOYSA-N
XLogP2.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-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

Related Compounds

4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-triazole
CID 113301154
4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole
CID 115393362
cis-(1S,3R)-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 106324425
3-(2,3-dihydro-1-benzofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81495388
3-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 115390050
4-tert-butyl-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazole
CID 115394450
3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791808
3-(4-methoxypyrrolidin-2-yl)-4-phenyl-1,2,4-triazole
CID 62711957
[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071795
1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine
CID 87052252
2,3,3-trimethyl-4-(4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 102630997
2,2-dimethyl-3-(4-phenyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 64835012

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole (CID 115393448) is 3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole is c1ccc(-n2cnnc2C2Cc3ccccc3O2)cc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole?
The InChIKey is UJYOCVUWEUUJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-2-7-13(8-3-1)19-11-17-18-16(19)15-10-12-6-4-5-9-14(12)20-15/h1-9,11,15H,10H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole?
3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole has a molecular weight of 263.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).