N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine

C7H6F3N5O — CID 84795834

IUPACN-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine
SMILESONCc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C7H6F3N5O/c8-7(9,10)5-13-6-11-1-4(2-12-16)3-15(6)14-5/h1,3,12,16H,2H2
InChIKeyPTMZAARFKFJMLD-UHFFFAOYSA-N
MW233.15 g/mol
LogP0.62
Rot. Bonds2

About N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine

N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine (PubChem CID 84795834) has the molecular formula C7H6F3N5O and a molecular weight of 233.15 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine
PubChem CID84795834
Molecular FormulaC7H6F3N5O
Molecular Weight233.15 g/mol
Exact Mass233.05
IUPAC NameN-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine
SMILESONCc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C7H6F3N5O/c8-7(9,10)5-13-6-11-1-4(2-12-16)3-15(6)14-5/h1,3,12,16H,2H2
InChIKeyPTMZAARFKFJMLD-UHFFFAOYSA-N
XLogP0.62
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
N,1-dimethyl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 219753
5-Amino-[1,2,4]triazolo[1,5-A]pyrimidine-6-carbonitrile
CID 10464587
3,6-Dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 12847959
5-Hydroxypyrazolo-(3,4-d)-pyrimidine
CID 68436735
6-Fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269258
8-Methyl-5-(2,2,2-trifluoro-ethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-2-ylamine
CID 67335905
1-(Trifluoromethyl)pyrazolo[3,4-d]pyrimidine
CID 69243962
N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 70282858
6-Bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84711727
6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 89181687
3-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 105454085

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine?
The IUPAC name of N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine (CID 84795834) is N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine?
The canonical SMILES for N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine is ONCc1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine?
The InChIKey is PTMZAARFKFJMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5O/c8-7(9,10)5-13-6-11-1-4(2-12-16)3-15(6)14-5/h1,3,12,16H,2H2.
What are the key properties of N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine?
N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine has a molecular weight of 233.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine is sourced from PubChem (CID 84795834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).