4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole

C18H17N3 — CID 68556485

IUPAC4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole
SMILESc1ccc(Cc2cn(C3Cc4ccccc4C3)nn2)cc1
InChIInChI=1S/C18H17N3/c1-2-6-14(7-3-1)10-17-13-21(20-19-17)18-11-15-8-4-5-9-16(15)12-18/h1-9,13,18H,10-12H2
InChIKeyQRLOLCUYUPJRSS-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.21
Rot. Bonds3

About 4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole

4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole (PubChem CID 68556485) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole.

Molecular Properties

Compound Name4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole
PubChem CID68556485
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole
SMILESc1ccc(Cc2cn(C3Cc4ccccc4C3)nn2)cc1
InChIInChI=1S/C18H17N3/c1-2-6-14(7-3-1)10-17-13-21(20-19-17)18-11-15-8-4-5-9-16(15)12-18/h1-9,13,18H,10-12H2
InChIKeyQRLOLCUYUPJRSS-UHFFFAOYSA-N
XLogP3.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole?
The IUPAC name of 4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole (CID 68556485) is 4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole.
What is the SMILES notation for 4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole?
The canonical SMILES for 4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole is c1ccc(Cc2cn(C3Cc4ccccc4C3)nn2)cc1.
What is the InChIKey of 4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole?
The InChIKey is QRLOLCUYUPJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-6-14(7-3-1)10-17-13-21(20-19-17)18-11-15-8-4-5-9-16(15)12-18/h1-9,13,18H,10-12H2.
What are the key properties of 4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole?
4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole has a molecular weight of 275.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole is sourced from PubChem (CID 68556485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).