4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one

C15H15F3N4O — CID 130311026

IUPAC4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CC=C(c2cccn3ncnc23)CC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)6-3-13(23)21-8-4-11(5-9-21)12-2-1-7-22-14(12)19-10-20-22/h1-2,4,7,10H,3,5-6,8-9H2
InChIKeyHABACNOGYYZBOM-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.69
Rot. Bonds3

About 4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one

4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one (PubChem CID 130311026) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
PubChem CID130311026
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CC=C(c2cccn3ncnc23)CC1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)6-3-13(23)21-8-4-11(5-9-21)12-2-1-7-22-14(12)19-10-20-22/h1-2,4,7,10H,3,5-6,8-9H2
InChIKeyHABACNOGYYZBOM-UHFFFAOYSA-N
XLogP2.69
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one (CID 130311026) is 4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CC=C(c2cccn3ncnc23)CC1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The InChIKey is HABACNOGYYZBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)6-3-13(23)21-8-4-11(5-9-21)12-2-1-7-22-14(12)19-10-20-22/h1-2,4,7,10H,3,5-6,8-9H2.
What are the key properties of 4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one has a molecular weight of 324.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one is sourced from PubChem (CID 130311026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).