2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

C14H13FN4 — CID 90330851

IUPAC2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1c(F)cncc1-c1nc2cc(C)ccn2n1
InChIInChI=1S/C14H13FN4/c1-3-10-11(7-16-8-12(10)15)14-17-13-6-9(2)4-5-19(13)18-14/h4-8H,3H2,1-2H3
InChIKeyNVGAOZFOABQRPO-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.80
Rot. Bonds2

About 2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 90330851) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID90330851
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1c(F)cncc1-c1nc2cc(C)ccn2n1
InChIInChI=1S/C14H13FN4/c1-3-10-11(7-16-8-12(10)15)14-17-13-6-9(2)4-5-19(13)18-14/h4-8H,3H2,1-2H3
InChIKeyNVGAOZFOABQRPO-UHFFFAOYSA-N
XLogP2.80
TPSA43.08 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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 90330851) is 2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is CCc1c(F)cncc1-c1nc2cc(C)ccn2n1.
What is the InChIKey of 2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NVGAOZFOABQRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-3-10-11(7-16-8-12(10)15)14-17-13-6-9(2)4-5-19(13)18-14/h4-8H,3H2,1-2H3.
What are the key properties of 2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 256.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 90330851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).