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

C11H12FN3 — CID 115394918

IUPAC4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole
SMILESCCn1cnnc1-c1cccc(C)c1F
InChIInChI=1S/C11H12FN3/c1-3-15-7-13-14-11(15)9-6-4-5-8(2)10(9)12/h4-7H,3H2,1-2H3
InChIKeyISPPNDZIAQBJGA-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.41
Rot. Bonds2

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

4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole (PubChem CID 115394918) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole
PubChem CID115394918
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole
SMILESCCn1cnnc1-c1cccc(C)c1F
InChIInChI=1S/C11H12FN3/c1-3-15-7-13-14-11(15)9-6-4-5-8(2)10(9)12/h4-7H,3H2,1-2H3
InChIKeyISPPNDZIAQBJGA-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301449
3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole
CID 82819204
4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole
CID 114088311
3-(3-chloro-2-fluorophenyl)-4-propyl-1,2,4-triazole
CID 115395003
3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole
CID 113301247
3-(2,3-difluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395501
3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline
CID 62694280
3-(3-methyl-2-nitrophenyl)-4-propyl-1,2,4-triazole
CID 113301331
4-ethyl-3-(5-fluoro-2-nitrophenyl)-1,2,4-triazole
CID 115394724
3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine
CID 130933848
[5-(2-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301728
3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
CID 107954691

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole (CID 115394918) is 4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole is CCn1cnnc1-c1cccc(C)c1F.
What is the InChIKey of 4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole?
The InChIKey is ISPPNDZIAQBJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-3-15-7-13-14-11(15)9-6-4-5-8(2)10(9)12/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole?
4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole has a molecular weight of 205.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 115394918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).