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

C9H10F3N5 — CID 84802830

IUPACN-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
SMILESCNCCc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H10F3N5/c1-13-3-2-6-4-14-8-15-7(9(10,11)12)16-17(8)5-6/h4-5,13H,2-3H2,1H3
InChIKeyBQUSUKNOPGPQKD-UHFFFAOYSA-N
MW245.21 g/mol
LogP0.90
Rot. Bonds3

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

N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine (PubChem CID 84802830) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
PubChem CID84802830
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC NameN-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine
SMILESCNCCc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H10F3N5/c1-13-3-2-6-4-14-8-15-7(9(10,11)12)16-17(8)5-6/h4-5,13H,2-3H2,1H3
InChIKeyBQUSUKNOPGPQKD-UHFFFAOYSA-N
XLogP0.90
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 221087
N-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 221089
5-ethyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]-2-methylpyrimidin-4-amine
CID 50978867
5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72885337
5-ethyl-N~4~-methyl-N~4~-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72899234
N~4~-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72926789
3-((1,2,4)Triazolo(1,5-a)pyrimidin-6-yl)propan-1-amine dihydrochloride
CID 91623794
1-methyl-N-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 409421
5-ethyl-N-[(1-propyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 72897270
1-(2,2-difluoroethyl)-N-[(2,4-dimethylpyrimidin-5-yl)methyl]pyrazol-3-amine
CID 132390996
6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 68949401

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine (CID 84802830) is N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine is CNCCc1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
The InChIKey is BQUSUKNOPGPQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-13-3-2-6-4-14-8-15-7(9(10,11)12)16-17(8)5-6/h4-5,13H,2-3H2,1H3.
What are the key properties of N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine?
N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine has a molecular weight of 245.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanamine is sourced from PubChem (CID 84802830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).