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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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).