3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole

C17H14ClN3 — CID 63383941

IUPAC3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole
SMILESClc1nnc(-c2ccccc2)n1-c1ccc2c(c1)CCC2
InChIInChI=1S/C17H14ClN3/c18-17-20-19-16(13-5-2-1-3-6-13)21(17)15-10-9-12-7-4-8-14(12)11-15/h1-3,5-6,9-11H,4,7-8H2
InChIKeyKENPUZFMOZHMHY-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.08
Rot. Bonds2

About 3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole

3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole (PubChem CID 63383941) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole
PubChem CID63383941
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole
SMILESClc1nnc(-c2ccccc2)n1-c1ccc2c(c1)CCC2
InChIInChI=1S/C17H14ClN3/c18-17-20-19-16(13-5-2-1-3-6-13)21(17)15-10-9-12-7-4-8-14(12)11-15/h1-3,5-6,9-11H,4,7-8H2
InChIKeyKENPUZFMOZHMHY-UHFFFAOYSA-N
XLogP4.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole (CID 63383941) is 3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole is Clc1nnc(-c2ccccc2)n1-c1ccc2c(c1)CCC2.
What is the InChIKey of 3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole?
The InChIKey is KENPUZFMOZHMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c18-17-20-19-16(13-5-2-1-3-6-13)21(17)15-10-9-12-7-4-8-14(12)11-15/h1-3,5-6,9-11H,4,7-8H2.
What are the key properties of 3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole?
3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole has a molecular weight of 295.77 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 63383941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).