6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C14H19FN4 — CID 129277194

IUPAC6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)N1CCCC1(C)c1nnc2ccc(F)cn12
InChIInChI=1S/C14H19FN4/c1-10(2)19-8-4-7-14(19,3)13-17-16-12-6-5-11(15)9-18(12)13/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyMZIQFGFJPBRUMG-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.59
Rot. Bonds2

About 6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 129277194) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID129277194
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)N1CCCC1(C)c1nnc2ccc(F)cn12
InChIInChI=1S/C14H19FN4/c1-10(2)19-8-4-7-14(19,3)13-17-16-12-6-5-11(15)9-18(12)13/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyMZIQFGFJPBRUMG-UHFFFAOYSA-N
XLogP2.59
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 129277194) is 6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)N1CCCC1(C)c1nnc2ccc(F)cn12.
What is the InChIKey of 6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MZIQFGFJPBRUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-10(2)19-8-4-7-14(19,3)13-17-16-12-6-5-11(15)9-18(12)13/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 262.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 129277194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).