5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole

C16H12FN5 — CID 25166058

IUPAC5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole
SMILESFc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1
InChIInChI=1S/C16H12FN5/c17-14-4-1-11(2-5-14)9-22-10-16(20-21-22)12-3-6-15-13(7-12)8-18-19-15/h1-8,10H,9H2,(H,18,19)
InChIKeyGMPRARRULJWWPH-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.01
Rot. Bonds3

About 5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole

5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole (PubChem CID 25166058) has the molecular formula C16H12FN5 and a molecular weight of 293.31 g/mol. Its IUPAC name is 5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole
PubChem CID25166058
Molecular FormulaC16H12FN5
Molecular Weight293.31 g/mol
Exact Mass293.11
IUPAC Name5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole
SMILESFc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1
InChIInChI=1S/C16H12FN5/c17-14-4-1-11(2-5-14)9-22-10-16(20-21-22)12-3-6-15-13(7-12)8-18-19-15/h1-8,10H,9H2,(H,18,19)
InChIKeyGMPRARRULJWWPH-UHFFFAOYSA-N
XLogP3.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole?
The IUPAC name of 5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole (CID 25166058) is 5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole?
The canonical SMILES for 5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole is Fc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1.
What is the InChIKey of 5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole?
The InChIKey is GMPRARRULJWWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5/c17-14-4-1-11(2-5-14)9-22-10-16(20-21-22)12-3-6-15-13(7-12)8-18-19-15/h1-8,10H,9H2,(H,18,19).
What are the key properties of 5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole?
5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole has a molecular weight of 293.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1H-indazole is sourced from PubChem (CID 25166058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).