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

C7H6F3N5 — CID 84785054

IUPAC[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESNCc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C7H6F3N5/c8-7(9,10)5-13-6-12-2-4(1-11)3-15(6)14-5/h2-3H,1,11H2
InChIKeyYLYDAJUZNPTAKH-UHFFFAOYSA-N
MW217.15 g/mol
LogP0.60
Rot. Bonds1

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

[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 84785054) has the molecular formula C7H6F3N5 and a molecular weight of 217.15 g/mol. Its IUPAC name is [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID84785054
Molecular FormulaC7H6F3N5
Molecular Weight217.15 g/mol
Exact Mass217.06
IUPAC Name[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESNCc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C7H6F3N5/c8-7(9,10)5-13-6-12-2-4(1-11)3-15(6)14-5/h2-3H,1,11H2
InChIKeyYLYDAJUZNPTAKH-UHFFFAOYSA-N
XLogP0.60
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazolo[3,4-d]pyrimidin-4-amine
CID 75420
1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
n-Methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221158
4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine
CID 3161243
1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864305
4-Hydrazinyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 219785
6-Chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 220780
N,1-dimethyl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 219753
1-methyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221090

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 84785054) is [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine is NCc1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is YLYDAJUZNPTAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5/c8-7(9,10)5-13-6-12-2-4(1-11)3-15(6)14-5/h2-3H,1,11H2.
What are the key properties of [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine?
[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 217.15 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 84785054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).