4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole

C14H12FN3 — CID 114088311

IUPAC4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1ccc(F)c2ccccc12
InChIInChI=1S/C14H12FN3/c1-2-18-9-16-17-14(18)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9H,2H2,1H3
InChIKeyGQPLEYXHOGVXCF-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.26
Rot. Bonds2

About 4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole

4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole (PubChem CID 114088311) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole
PubChem CID114088311
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1ccc(F)c2ccccc12
InChIInChI=1S/C14H12FN3/c1-2-18-9-16-17-14(18)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9H,2H2,1H3
InChIKeyGQPLEYXHOGVXCF-UHFFFAOYSA-N
XLogP3.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole
CID 115394918
3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline
CID 62694280
3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole
CID 82819204
3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
CID 107954691
3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole
CID 113301247
3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole
CID 115394797
3-(2,5-difluorophenyl)-4-propyl-1,2,4-triazole
CID 115395120
4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole
CID 113301248
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
3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395074
3-(2,3-difluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395501

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole (CID 114088311) is 4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole is CCn1cnnc1-c1ccc(F)c2ccccc12.
What is the InChIKey of 4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole?
The InChIKey is GQPLEYXHOGVXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-2-18-9-16-17-14(18)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9H,2H2,1H3.
What are the key properties of 4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole?
4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole has a molecular weight of 241.27 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole is sourced from PubChem (CID 114088311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).