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

C9H9F3N4O — CID 43752801

IUPAC2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCC(n1nc2ccccn2c1=O)C(F)(F)F
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)6(5-13)16-8(17)15-4-2-1-3-7(15)14-16/h1-4,6H,5,13H2
InChIKeyQMRFUELLIMRCDS-UHFFFAOYSA-N
MW246.19 g/mol
LogP0.56
Rot. Bonds2

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

2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43752801) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43752801
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCC(n1nc2ccccn2c1=O)C(F)(F)F
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)6(5-13)16-8(17)15-4-2-1-3-7(15)14-16/h1-4,6H,5,13H2
InChIKeyQMRFUELLIMRCDS-UHFFFAOYSA-N
XLogP0.56
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43184095
2-(2-aminoethyl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 43184083
2-(4-Amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43753219
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 45807619
2-[2-(2,2,2-Trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55087933
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 60436301
2-[2-[Methyl(3,3,3-trifluoropropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86842695
1-(2,2-Difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea
CID 100905189
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 113807403
2-(2,2,2-Trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579315
2-(3,3,3-Trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579332
2-(2,2-Difluoroethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115980955

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43752801) is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is NCC(n1nc2ccccn2c1=O)C(F)(F)F.
What is the InChIKey of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is QMRFUELLIMRCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)6(5-13)16-8(17)15-4-2-1-3-7(15)14-16/h1-4,6H,5,13H2.
What are the key properties of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 246.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43752801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).