ethane;4-(3-fluorophenyl)-1-propyltriazole

C13H18FN3 — CID 155708968

IUPACethane;4-(3-fluorophenyl)-1-propyltriazole
SMILESCC.CCCn1cc(-c2cccc(F)c2)nn1
InChIInChI=1S/C11H12FN3.C2H6/c1-2-6-15-8-11(13-14-15)9-4-3-5-10(12)7-9;1-2/h3-5,7-8H,2,6H2,1H3;1-2H3
InChIKeyBFKHYFXVJZGULG-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.52
Rot. Bonds3

About ethane;4-(3-fluorophenyl)-1-propyltriazole

ethane;4-(3-fluorophenyl)-1-propyltriazole (PubChem CID 155708968) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is ethane;4-(3-fluorophenyl)-1-propyltriazole.

Molecular Properties

Compound Nameethane;4-(3-fluorophenyl)-1-propyltriazole
PubChem CID155708968
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Nameethane;4-(3-fluorophenyl)-1-propyltriazole
SMILESCC.CCCn1cc(-c2cccc(F)c2)nn1
InChIInChI=1S/C11H12FN3.C2H6/c1-2-6-15-8-11(13-14-15)9-4-3-5-10(12)7-9;1-2/h3-5,7-8H,2,6H2,1H3;1-2H3
InChIKeyBFKHYFXVJZGULG-UHFFFAOYSA-N
XLogP3.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-butyltriazol-4-yl)aniline
CID 123699431
3-(3-fluorophenyl)-1-propylpyrazol-4-amine
CID 83223075
3-[1-(2-(18F)fluoroethyl)triazol-4-yl](18F)aniline
CID 177458365
4-(3-fluorophenyl)-1-(methoxymethoxy)triazole
CID 166845266
3-[1-(4-aminobutyl)triazol-4-yl]aniline
CID 90433916
3-(bromomethyl)-5-(3-fluorophenyl)-4-propyl-1,2,4-triazole
CID 115399805
2-(difluoromethyl)-5-[4-[[4-(3-fluorophenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722537
1-(dimethylamino)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-[2-hydroxy-1-[hydroxy(methyl)amino]ethoxy]propan-2-ol
CID 142471983
N-[(2R,3R,6R)-6-[2-[4-(3-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide
CID 54644044
N-[(2S,3S,6S)-6-[2-[4-(3-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide
CID 54644043
1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole
CID 155276348
1-(2-methylsulfonylethyl)-4-(3-methylsulfonylphenyl)triazole
CID 167977006

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-fluorophenyl)-1-propyltriazole?
The IUPAC name of ethane;4-(3-fluorophenyl)-1-propyltriazole (CID 155708968) is ethane;4-(3-fluorophenyl)-1-propyltriazole.
What is the SMILES notation for ethane;4-(3-fluorophenyl)-1-propyltriazole?
The canonical SMILES for ethane;4-(3-fluorophenyl)-1-propyltriazole is CC.CCCn1cc(-c2cccc(F)c2)nn1.
What is the InChIKey of ethane;4-(3-fluorophenyl)-1-propyltriazole?
The InChIKey is BFKHYFXVJZGULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3.C2H6/c1-2-6-15-8-11(13-14-15)9-4-3-5-10(12)7-9;1-2/h3-5,7-8H,2,6H2,1H3;1-2H3.
What are the key properties of ethane;4-(3-fluorophenyl)-1-propyltriazole?
ethane;4-(3-fluorophenyl)-1-propyltriazole has a molecular weight of 235.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-fluorophenyl)-1-propyltriazole is sourced from PubChem (CID 155708968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).