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

C13H13N3O — CID 113301117

IUPAC4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole
SMILESc1ccc2c(c1)OCC2c1nncn1C1CC1
InChIInChI=1S/C13H13N3O/c1-2-4-12-10(3-1)11(7-17-12)13-15-14-8-16(13)9-5-6-9/h1-4,8-9,11H,5-7H2
InChIKeyZPJWHFOOIHFTGO-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.14
Rot. Bonds2

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

4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole (PubChem CID 113301117) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole
PubChem CID113301117
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole
SMILESc1ccc2c(c1)OCC2c1nncn1C1CC1
InChIInChI=1S/C13H13N3O/c1-2-4-12-10(3-1)11(7-17-12)13-15-14-8-16(13)9-5-6-9/h1-4,8-9,11H,5-7H2
InChIKeyZPJWHFOOIHFTGO-UHFFFAOYSA-N
XLogP2.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-triazole
CID 113301154
3-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81494554
3-(2,3-dihydro-1-benzofuran-3-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 115390111
3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole
CID 115394295
4-tert-butyl-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazole
CID 115394450
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
2,3-dihydro-1-benzofuran-3-ol
CID 585896
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
[2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol
CID 114245014
4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084227
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole (CID 113301117) is 4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole is c1ccc2c(c1)OCC2c1nncn1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole?
The InChIKey is ZPJWHFOOIHFTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-4-12-10(3-1)11(7-17-12)13-15-14-8-16(13)9-5-6-9/h1-4,8-9,11H,5-7H2.
What are the key properties of 4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole?
4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole has a molecular weight of 227.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-triazole is sourced from PubChem (CID 113301117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).