1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole

C17H15ClN4 — CID 155531907

IUPAC1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
SMILESClc1ccc(-n2cc(CN3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C17H15ClN4/c18-14-5-7-16(8-6-14)22-12-15(19-20-22)11-21-10-9-13-3-1-2-4-17(13)21/h1-8,12H,9-11H2
InChIKeyYSXYDZWBMDNGHX-UHFFFAOYSA-N
MW310.79 g/mol
LogP3.48
Rot. Bonds3

About 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole

1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole (PubChem CID 155531907) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
PubChem CID155531907
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
SMILESClc1ccc(-n2cc(CN3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C17H15ClN4/c18-14-5-7-16(8-6-14)22-12-15(19-20-22)11-21-10-9-13-3-1-2-4-17(13)21/h1-8,12H,9-11H2
InChIKeyYSXYDZWBMDNGHX-UHFFFAOYSA-N
XLogP3.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole?
The IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole (CID 155531907) is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole is Clc1ccc(-n2cc(CN3CCc4ccccc43)nn2)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole?
The InChIKey is YSXYDZWBMDNGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c18-14-5-7-16(8-6-14)22-12-15(19-20-22)11-21-10-9-13-3-1-2-4-17(13)21/h1-8,12H,9-11H2.
What are the key properties of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole?
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole has a molecular weight of 310.79 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 155531907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).