1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole

C11H12FN3 — CID 134457989

IUPAC1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole
SMILESCCc1ccc(-n2cnc(C)n2)c(F)c1
InChIInChI=1S/C11H12FN3/c1-3-9-4-5-11(10(12)6-9)15-7-13-8(2)14-15/h4-7H,3H2,1-2H3
InChIKeyLOSZWGYVAASSLH-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole

1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole (PubChem CID 134457989) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole
PubChem CID134457989
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole
SMILESCCc1ccc(-n2cnc(C)n2)c(F)c1
InChIInChI=1S/C11H12FN3/c1-3-9-4-5-11(10(12)6-9)15-7-13-8(2)14-15/h4-7H,3H2,1-2H3
InChIKeyLOSZWGYVAASSLH-UHFFFAOYSA-N
XLogP2.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(4-ethylphenyl)-3-methyl-1,2,4-triazole
CID 142333133
5-ethyl-2-(3-methyl-1,2,4-triazol-1-yl)pyridine
CID 142333101
3-[4-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513776
1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 156675371
1-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,4-triazole-3-carbonitrile
CID 55155438
methyl 5-fluoro-2-(3-methyl-1,2,4-triazol-1-yl)benzoate
CID 166607435
3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76556203
1-(2-ethyl-3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazole;[2-fluoro-3-methoxy-6-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol
CID 163528947
1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole
CID 150398834
[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol
CID 91758264
[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine
CID 62349826
4-benzyl-N-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-6-methylpyrimidin-2-amine;palladium(2+);diacetate
CID 173098932

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole?
The IUPAC name of 1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole (CID 134457989) is 1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole is CCc1ccc(-n2cnc(C)n2)c(F)c1.
What is the InChIKey of 1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole?
The InChIKey is LOSZWGYVAASSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-3-9-4-5-11(10(12)6-9)15-7-13-8(2)14-15/h4-7H,3H2,1-2H3.
What are the key properties of 1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole?
1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole has a molecular weight of 205.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-fluorophenyl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 134457989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).