5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole

C16H11Cl2N5 — CID 25166867

IUPAC5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole
SMILESClc1cc(Cl)cc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1
InChIInChI=1S/C16H11Cl2N5/c17-13-3-10(4-14(18)6-13)8-23-9-16(21-22-23)11-1-2-15-12(5-11)7-19-20-15/h1-7,9H,8H2,(H,19,20)
InChIKeyYPLADSZZPCZLET-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.18
Rot. Bonds3

About 5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole

5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole (PubChem CID 25166867) has the molecular formula C16H11Cl2N5 and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole
PubChem CID25166867
Molecular FormulaC16H11Cl2N5
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole
SMILESClc1cc(Cl)cc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1
InChIInChI=1S/C16H11Cl2N5/c17-13-3-10(4-14(18)6-13)8-23-9-16(21-22-23)11-1-2-15-12(5-11)7-19-20-15/h1-7,9H,8H2,(H,19,20)
InChIKeyYPLADSZZPCZLET-UHFFFAOYSA-N
XLogP4.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole?
The IUPAC name of 5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole (CID 25166867) is 5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole?
The canonical SMILES for 5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole is Clc1cc(Cl)cc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1.
What is the InChIKey of 5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole?
The InChIKey is YPLADSZZPCZLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5/c17-13-3-10(4-14(18)6-13)8-23-9-16(21-22-23)11-1-2-15-12(5-11)7-19-20-15/h1-7,9H,8H2,(H,19,20).
What are the key properties of 5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole?
5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole has a molecular weight of 344.21 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]-1H-indazole is sourced from PubChem (CID 25166867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).