3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole

C13H9N5S — CID 55111523

IUPAC3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESc1csc(-c2nc(-c3n[nH]c4ccccc34)n[nH]2)c1
InChIInChI=1S/C13H9N5S/c1-2-5-9-8(4-1)11(16-15-9)13-14-12(17-18-13)10-6-3-7-19-10/h1-7H,(H,15,16)(H,14,17,18)
InChIKeySKJGDNBYLHAIRY-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.08
Rot. Bonds2

About 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole

3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 55111523) has the molecular formula C13H9N5S and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID55111523
Molecular FormulaC13H9N5S
Molecular Weight267.32 g/mol
Exact Mass267.06
IUPAC Name3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESc1csc(-c2nc(-c3n[nH]c4ccccc34)n[nH]2)c1
InChIInChI=1S/C13H9N5S/c1-2-5-9-8(4-1)11(16-15-9)13-14-12(17-18-13)10-6-3-7-19-10/h1-7H,(H,15,16)(H,14,17,18)
InChIKeySKJGDNBYLHAIRY-UHFFFAOYSA-N
XLogP3.08
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole (CID 55111523) is 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole.
What is the SMILES notation for 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole is c1csc(-c2nc(-c3n[nH]c4ccccc34)n[nH]2)c1.
What is the InChIKey of 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is SKJGDNBYLHAIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5S/c1-2-5-9-8(4-1)11(16-15-9)13-14-12(17-18-13)10-6-3-7-19-10/h1-7H,(H,15,16)(H,14,17,18).
What are the key properties of 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole?
3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 267.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 55111523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).