2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C9H10F3N5O — CID 66273482

IUPAC2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCNCC(F)(F)F)nc2cnccn12
InChIInChI=1S/C9H10F3N5O/c10-9(11,12)6-14-2-4-17-8(18)16-3-1-13-5-7(16)15-17/h1,3,5,14H,2,4,6H2
InChIKeyNJFZDWWHDCCZBX-UHFFFAOYSA-N
MW261.21 g/mol
LogP0.04
Rot. Bonds4

About 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66273482) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66273482
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCNCC(F)(F)F)nc2cnccn12
InChIInChI=1S/C9H10F3N5O/c10-9(11,12)6-14-2-4-17-8(18)16-3-1-13-5-7(16)15-17/h1,3,5,14H,2,4,6H2
InChIKeyNJFZDWWHDCCZBX-UHFFFAOYSA-N
XLogP0.04
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-Amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271529
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 103366614
2-[2-[2-(Dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271134
2-[2-(Propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271323
2-[2-(Propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272179
2-[2-(Propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272180
2-[2-(Cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272181
2-(2-Piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272185
2-[2-(Butan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272415
2-[2-[2-(Diethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272417
2-[2-(Prop-2-ynylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272844
2-(2-Aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273453

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66273482) is 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CCNCC(F)(F)F)nc2cnccn12.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is NJFZDWWHDCCZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c10-9(11,12)6-14-2-4-17-8(18)16-3-1-13-5-7(16)15-17/h1,3,5,14H,2,4,6H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 261.21 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66273482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).