2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C10H11F3N4O — CID 43753219

IUPAC2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCCC(n1nc2ccccn2c1=O)C(F)(F)F
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7(4-5-14)17-9(18)16-6-2-1-3-8(16)15-17/h1-3,6-7H,4-5,14H2
InChIKeyRIYPNHFUMXHRJZ-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.95
Rot. Bonds3

About 2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43753219) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43753219
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCCC(n1nc2ccccn2c1=O)C(F)(F)F
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7(4-5-14)17-9(18)16-6-2-1-3-8(16)15-17/h1-3,6-7H,4-5,14H2
InChIKeyRIYPNHFUMXHRJZ-UHFFFAOYSA-N
XLogP0.95
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

1-Butan-2-yl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47092526
1-Ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47481211
2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43184095
2-[2-(Aminomethyl)-3,3-difluoroprop-2-enyl]-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 153607862
2-[2-(Aminomethyl)-3,3-difluoroprop-2-enyl]-7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 153607878
2-[2-(Aminomethyl)-3,3-difluoroprop-2-enyl]-5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 153607901
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43752801
2-[2-(2,2,2-Trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55087933
1-(2,2-Difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea
CID 100905189
3,3,3-Trifluoro-2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]propanethioamide
CID 103368875
2-(4,4,4-Trifluorobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 113544267
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 113807403

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43753219) is 2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is NCCC(n1nc2ccccn2c1=O)C(F)(F)F.
What is the InChIKey of 2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RIYPNHFUMXHRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)7(4-5-14)17-9(18)16-6-2-1-3-8(16)15-17/h1-3,6-7H,4-5,14H2.
What are the key properties of 2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 260.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43753219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).