2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone

C8H6F3N5O — CID 84802815

IUPAC2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESNCC(=O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H6F3N5O/c9-8(10,11)6-14-7-13-2-4(5(17)1-12)3-16(7)15-6/h2-3H,1,12H2
InChIKeyDQVPXVDDXMRKJP-UHFFFAOYSA-N
MW245.16 g/mol
LogP0.28
Rot. Bonds2

About 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone

2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 84802815) has the molecular formula C8H6F3N5O and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID84802815
Molecular FormulaC8H6F3N5O
Molecular Weight245.16 g/mol
Exact Mass245.05
IUPAC Name2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESNCC(=O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H6F3N5O/c9-8(10,11)6-14-7-13-2-4(5(17)1-12)3-16(7)15-6/h2-3H,1,12H2
InChIKeyDQVPXVDDXMRKJP-UHFFFAOYSA-N
XLogP0.28
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-Fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 91317085
1-(2-Amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 118137331
3-Methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 141038892
N-[3-(difluoromethyl)-1-methylidenepyrazol-1-ium-4-yl]-6-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156823348
2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 82393725
1-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 84726113
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 84793536
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
CID 84794146
2-Amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 84802569
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one
CID 84802570
N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
CID 84802830
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-amine
CID 84802832

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 84802815) is 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone is NCC(=O)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is DQVPXVDDXMRKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5O/c9-8(10,11)6-14-7-13-2-4(5(17)1-12)3-16(7)15-6/h2-3H,1,12H2.
What are the key properties of 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 245.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 84802815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).