5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole

C12H8N6S — CID 22479797

IUPAC5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole
SMILESc1cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cs1
InChIInChI=1S/C12H8N6S/c1-2-10-9(5-7(1)12-15-17-18-16-12)11(14-13-10)8-3-4-19-6-8/h1-6H,(H,13,14)(H,15,16,17,18)
InChIKeyBAWACFRRXKKDPX-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.47
Rot. Bonds2

About 5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole

5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole (PubChem CID 22479797) has the molecular formula C12H8N6S and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole.

Molecular Properties

Compound Name5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole
PubChem CID22479797
Molecular FormulaC12H8N6S
Molecular Weight268.31 g/mol
Exact Mass268.05
IUPAC Name5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole
SMILESc1cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cs1
InChIInChI=1S/C12H8N6S/c1-2-10-9(5-7(1)12-15-17-18-16-12)11(14-13-10)8-3-4-19-6-8/h1-6H,(H,13,14)(H,15,16,17,18)
InChIKeyBAWACFRRXKKDPX-UHFFFAOYSA-N
XLogP2.47
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole?
The IUPAC name of 5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole (CID 22479797) is 5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole.
What is the SMILES notation for 5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole?
The canonical SMILES for 5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole is c1cc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cs1.
What is the InChIKey of 5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole?
The InChIKey is BAWACFRRXKKDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6S/c1-2-10-9(5-7(1)12-15-17-18-16-12)11(14-13-10)8-3-4-19-6-8/h1-6H,(H,13,14)(H,15,16,17,18).
What are the key properties of 5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole?
5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole has a molecular weight of 268.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-yl)-3-thiophen-3-yl-1H-indazole is sourced from PubChem (CID 22479797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).