5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole

C16H11N9 — CID 155569596

IUPAC5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole
SMILESc1ccc(-n2cnnn2)c(-c2cn(-c3ccc4[nH]ncc4c3)nn2)c1
InChIInChI=1S/C16H11N9/c1-2-4-16(25-10-18-21-23-25)13(3-1)15-9-24(22-20-15)12-5-6-14-11(7-12)8-17-19-14/h1-10H,(H,17,19)
InChIKeyIYRUYYPHGNWMSJ-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.79
Rot. Bonds3

About 5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole

5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole (PubChem CID 155569596) has the molecular formula C16H11N9 and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole.

Molecular Properties

Compound Name5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole
PubChem CID155569596
Molecular FormulaC16H11N9
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole
SMILESc1ccc(-n2cnnn2)c(-c2cn(-c3ccc4[nH]ncc4c3)nn2)c1
InChIInChI=1S/C16H11N9/c1-2-4-16(25-10-18-21-23-25)13(3-1)15-9-24(22-20-15)12-5-6-14-11(7-12)8-17-19-14/h1-10H,(H,17,19)
InChIKeyIYRUYYPHGNWMSJ-UHFFFAOYSA-N
XLogP1.79
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole?
The IUPAC name of 5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole (CID 155569596) is 5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole.
What is the SMILES notation for 5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole?
The canonical SMILES for 5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole is c1ccc(-n2cnnn2)c(-c2cn(-c3ccc4[nH]ncc4c3)nn2)c1.
What is the InChIKey of 5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole?
The InChIKey is IYRUYYPHGNWMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N9/c1-2-4-16(25-10-18-21-23-25)13(3-1)15-9-24(22-20-15)12-5-6-14-11(7-12)8-17-19-14/h1-10H,(H,17,19).
What are the key properties of 5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole?
5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole has a molecular weight of 329.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole is sourced from PubChem (CID 155569596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).