6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole

C15H17FN4 — CID 116619780

IUPAC6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole
SMILESCC(C)Cn1ncnc1Cn1ccc2ccc(F)cc21
InChIInChI=1S/C15H17FN4/c1-11(2)8-20-15(17-10-18-20)9-19-6-5-12-3-4-13(16)7-14(12)19/h3-7,10-11H,8-9H2,1-2H3
InChIKeyFTGFPICSJPUOPZ-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.08
Rot. Bonds4

About 6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole

6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole (PubChem CID 116619780) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole.

Molecular Properties

Compound Name6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole
PubChem CID116619780
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole
SMILESCC(C)Cn1ncnc1Cn1ccc2ccc(F)cc21
InChIInChI=1S/C15H17FN4/c1-11(2)8-20-15(17-10-18-20)9-19-6-5-12-3-4-13(16)7-14(12)19/h3-7,10-11H,8-9H2,1-2H3
InChIKeyFTGFPICSJPUOPZ-UHFFFAOYSA-N
XLogP3.08
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole
CID 116546855
1-(6-fluoroindol-1-yl)propan-2-ol
CID 10488020
5-[(5-fluoro-2-methylphenoxy)methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 102975462
6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole
CID 116619996
1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 82685783
3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 116619906
N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine
CID 79102342
1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine
CID 66404253
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
4-fluoro-2-[1-hydrazinyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 105263199
[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105211592

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole?
The IUPAC name of 6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole (CID 116619780) is 6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole.
What is the SMILES notation for 6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole?
The canonical SMILES for 6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole is CC(C)Cn1ncnc1Cn1ccc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole?
The InChIKey is FTGFPICSJPUOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-11(2)8-20-15(17-10-18-20)9-19-6-5-12-3-4-13(16)7-14(12)19/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole?
6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole has a molecular weight of 272.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole is sourced from PubChem (CID 116619780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).