8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline

C14H13FN4 — CID 121497811

IUPAC8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline
SMILESCCn1nc(C)nc1-c1ccc(F)c2cccnc12
InChIInChI=1S/C14H13FN4/c1-3-19-14(17-9(2)18-19)11-6-7-12(15)10-5-4-8-16-13(10)11/h4-8H,3H2,1-2H3
InChIKeyFHQPDFSLOJUSQY-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.96
Rot. Bonds2

About 8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline

8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline (PubChem CID 121497811) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline.

Molecular Properties

Compound Name8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline
PubChem CID121497811
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline
SMILESCCn1nc(C)nc1-c1ccc(F)c2cccnc12
InChIInChI=1S/C14H13FN4/c1-3-19-14(17-9(2)18-19)11-6-7-12(15)10-5-4-8-16-13(10)11/h4-8H,3H2,1-2H3
InChIKeyFHQPDFSLOJUSQY-UHFFFAOYSA-N
XLogP2.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-fluoroquinolin-8-yl)-2-methyl-4H-1,2,4-triazol-3-one
CID 162627027
2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine
CID 74239897
8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline
CID 74249674
5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline
CID 162637941
8-chloro-5-fluoroquinoline
CID 53435993
2-[5-(2,4-difluoro-3-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine
CID 50950919
5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline
CID 77084424
4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole
CID 114088311
4-(5-fluoroquinolin-8-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168589780
1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole
CID 154821229
1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole
CID 121498205
5-(5,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine;hydrochloride
CID 166059169

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline?
The IUPAC name of 8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline (CID 121497811) is 8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline.
What is the SMILES notation for 8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline?
The canonical SMILES for 8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline is CCn1nc(C)nc1-c1ccc(F)c2cccnc12.
What is the InChIKey of 8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline?
The InChIKey is FHQPDFSLOJUSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-3-19-14(17-9(2)18-19)11-6-7-12(15)10-5-4-8-16-13(10)11/h4-8H,3H2,1-2H3.
What are the key properties of 8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline?
8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline has a molecular weight of 256.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline is sourced from PubChem (CID 121497811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).