3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole

C12H14FN3 — CID 115395074

IUPAC3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1ccc(F)c(C)c1
InChIInChI=1S/C12H14FN3/c1-3-6-16-8-14-15-12(16)10-4-5-11(13)9(2)7-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyWSQZAWGBROUQBK-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.80
Rot. Bonds3

About 3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole

3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole (PubChem CID 115395074) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
PubChem CID115395074
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1-c1ccc(F)c(C)c1
InChIInChI=1S/C12H14FN3/c1-3-6-16-8-14-15-12(16)10-4-5-11(13)9(2)7-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyWSQZAWGBROUQBK-UHFFFAOYSA-N
XLogP2.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 62694499
4-propyl-3-(3,4,5-trifluorophenyl)-1,2,4-triazole
CID 113301320
3-(3-chloro-4-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395050
3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
CID 115395120
3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
CID 115395002
3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
CID 107954691
3-(3-chloro-5-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395140
3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole
CID 113301287
3-(2,3,4,5,6-pentafluorophenyl)-4-propyl-1,2,4-triazole
CID 115395009
4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylaniline
CID 62693006
3-(bromomethyl)-4-ethyl-5-(4-fluoro-3-methylphenyl)-1,2,4-triazole
CID 115399500
3-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazole
CID 113301344

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole (CID 115395074) is 3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole is CCCn1cnnc1-c1ccc(F)c(C)c1.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole?
The InChIKey is WSQZAWGBROUQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-3-6-16-8-14-15-12(16)10-4-5-11(13)9(2)7-10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole?
3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole has a molecular weight of 219.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 115395074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).