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

C8H8F3N5O — CID 84803299

IUPACN-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine
SMILESCN(O)Cc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H8F3N5O/c1-15(17)3-5-2-12-7-13-6(8(9,10)11)14-16(7)4-5/h2,4,17H,3H2,1H3
InChIKeyQSDIJXVPIPPPFM-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.96
Rot. Bonds2

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

N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine (PubChem CID 84803299) has the molecular formula C8H8F3N5O and a molecular weight of 247.18 g/mol. Its IUPAC name is N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine
PubChem CID84803299
Molecular FormulaC8H8F3N5O
Molecular Weight247.18 g/mol
Exact Mass247.07
IUPAC NameN-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine
SMILESCN(O)Cc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H8F3N5O/c1-15(17)3-5-2-12-7-13-6(8(9,10)11)14-16(7)4-5/h2,4,17H,3H2,1H3
InChIKeyQSDIJXVPIPPPFM-UHFFFAOYSA-N
XLogP0.96
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 223706
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N,N,1-trimethyl-
CID 219780
1-Methyl-1h-pyrazolo[3,4-d]pyrimidine
CID 223688
1,6-Dimethyl-1H-pyrazolo[3,4-d]pyrimidine
CID 20720866
3,6-Dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 12847959
1-methyl-N,N-dipropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590066
N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 57293064
5-Hydroxypyrazolo-(3,4-d)-pyrimidine
CID 68436735
2-Methyl-2h-pyrazolo[3,4-d]pyrimidine
CID 90961029
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
6-Bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84711727

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine?
The IUPAC name of N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine (CID 84803299) is N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine is CN(O)Cc1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine?
The InChIKey is QSDIJXVPIPPPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O/c1-15(17)3-5-2-12-7-13-6(8(9,10)11)14-16(7)4-5/h2,4,17H,3H2,1H3.
What are the key properties of N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine?
N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine has a molecular weight of 247.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]hydroxylamine is sourced from PubChem (CID 84803299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).