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

C16H12FN5 — CID 22480160

IUPAC3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C16H12FN5/c1-9-18-16(22-19-9)11-4-7-14-13(8-11)15(21-20-14)10-2-5-12(17)6-3-10/h2-8H,1H3,(H,20,21)(H,18,19,22)
InChIKeyMXBBSBSISNNSOI-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.46
Rot. Bonds2

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

3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 22480160) has the molecular formula C16H12FN5 and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID22480160
Molecular FormulaC16H12FN5
Molecular Weight293.31 g/mol
Exact Mass293.11
IUPAC Name3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C16H12FN5/c1-9-18-16(22-19-9)11-4-7-14-13(8-11)15(21-20-14)10-2-5-12(17)6-3-10/h2-8H,1H3,(H,20,21)(H,18,19,22)
InChIKeyMXBBSBSISNNSOI-UHFFFAOYSA-N
XLogP3.46
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole (CID 22480160) is 3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole is Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is MXBBSBSISNNSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5/c1-9-18-16(22-19-9)11-4-7-14-13(8-11)15(21-20-14)10-2-5-12(17)6-3-10/h2-8H,1H3,(H,20,21)(H,18,19,22).
What are the key properties of 3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 293.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 22480160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).