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

C13H9N5S — CID 22479734

IUPAC3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESc1n[nH]c(-c2ccc3[nH]nc(-c4ccsc4)c3c2)n1
InChIInChI=1S/C13H9N5S/c1-2-11-10(5-8(1)13-14-7-15-18-13)12(17-16-11)9-3-4-19-6-9/h1-7H,(H,16,17)(H,14,15,18)
InChIKeyTYBKIYCAMOXHFT-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.08
Rot. Bonds2

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

3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 22479734) has the molecular formula C13H9N5S and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID22479734
Molecular FormulaC13H9N5S
Molecular Weight267.32 g/mol
Exact Mass267.06
IUPAC Name3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESc1n[nH]c(-c2ccc3[nH]nc(-c4ccsc4)c3c2)n1
InChIInChI=1S/C13H9N5S/c1-2-11-10(5-8(1)13-14-7-15-18-13)12(17-16-11)9-3-4-19-6-9/h1-7H,(H,16,17)(H,14,15,18)
InChIKeyTYBKIYCAMOXHFT-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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Related Compounds

3-(3-methylsulfonylphenyl)-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
CID 164620905
4-(1H-indazol-5-yl)-2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazole
CID 155552736
3-(4-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 10149380
3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 20789082
3-(2-phenylethynyl)-5-(1H-1,2,4-triazol-5-yl)-2H-indazole
CID 22479738
3-[(E)-2-phenylethenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22479742
3-(3-propan-2-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22479753
3-(5-(2H-1,2,3,4-Tetrazol-5-Yl)-1H-Indazol-3-Yl)Thiophene
CID 22479797
3-[3-(4-Methylphenyl)-1H-Indazol-5-Yl]-1H-1,2,4-Triazole
CID 22479813
4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]aniline
CID 22479841
1-(5-(1H-1,2,4-Triazol-5-Yl)(1H-Indazol-3-Yl))-4-(Methylsulfinyl)benzene
CID 22480023
3-(4-methylsulfonylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22480056

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 22479734) is 3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is c1n[nH]c(-c2ccc3[nH]nc(-c4ccsc4)c3c2)n1.
What is the InChIKey of 3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is TYBKIYCAMOXHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5S/c1-2-11-10(5-8(1)13-14-7-15-18-13)12(17-16-11)9-3-4-19-6-9/h1-7H,(H,16,17)(H,14,15,18).
What are the key properties of 3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-thiophen-3-yl-5-(1H-1,2,4-triazol-5-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-thiophen-3-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 22479734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).