5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole

C16H12ClN5 — CID 25166059

IUPAC5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole
SMILESClc1ccccc1Cn1cc(-c2ccc3[nH]ncc3c2)nn1
InChIInChI=1S/C16H12ClN5/c17-14-4-2-1-3-12(14)9-22-10-16(20-21-22)11-5-6-15-13(7-11)8-18-19-15/h1-8,10H,9H2,(H,18,19)
InChIKeyONQWJQFYUGAKLG-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.52
Rot. Bonds3

About 5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole

5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole (PubChem CID 25166059) has the molecular formula C16H12ClN5 and a molecular weight of 309.76 g/mol. Its IUPAC name is 5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole
PubChem CID25166059
Molecular FormulaC16H12ClN5
Molecular Weight309.76 g/mol
Exact Mass309.08
IUPAC Name5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole
SMILESClc1ccccc1Cn1cc(-c2ccc3[nH]ncc3c2)nn1
InChIInChI=1S/C16H12ClN5/c17-14-4-2-1-3-12(14)9-22-10-16(20-21-22)11-5-6-15-13(7-11)8-18-19-15/h1-8,10H,9H2,(H,18,19)
InChIKeyONQWJQFYUGAKLG-UHFFFAOYSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole?
The IUPAC name of 5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole (CID 25166059) is 5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole?
The canonical SMILES for 5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole is Clc1ccccc1Cn1cc(-c2ccc3[nH]ncc3c2)nn1.
What is the InChIKey of 5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole?
The InChIKey is ONQWJQFYUGAKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5/c17-14-4-2-1-3-12(14)9-22-10-16(20-21-22)11-5-6-15-13(7-11)8-18-19-15/h1-8,10H,9H2,(H,18,19).
What are the key properties of 5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole?
5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole has a molecular weight of 309.76 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1H-indazole is sourced from PubChem (CID 25166059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).