3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole

C16H13N3O — CID 115393480

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2-c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H13N3O/c1-2-4-14(5-3-1)19-11-17-18-16(19)13-6-7-15-12(10-13)8-9-20-15/h1-7,10-11H,8-9H2
InChIKeyJAODGKIQCNFJKP-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.87
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole

3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole (PubChem CID 115393480) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole
PubChem CID115393480
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2-c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H13N3O/c1-2-4-14(5-3-1)19-11-17-18-16(19)13-6-7-15-12(10-13)8-9-20-15/h1-7,10-11H,8-9H2
InChIKeyJAODGKIQCNFJKP-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393413
2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 106754498
2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole
CID 58947269
3-(1-adamantyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,2,4-triazole
CID 59656197
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111562527
2-[5-(2,3-dihydro-1-benzofuran-5-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66043197
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine
CID 28902016
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine
CID 62198669
3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532675

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole (CID 115393480) is 3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole is c1ccc(-n2cnnc2-c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole?
The InChIKey is JAODGKIQCNFJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-2-4-14(5-3-1)19-11-17-18-16(19)13-6-7-15-12(10-13)8-9-20-15/h1-7,10-11H,8-9H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole?
3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole has a molecular weight of 263.30 g/mol, XLogP of 2.87, 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-5-yl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).