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

C9H10F3N5 — CID 84802833

IUPAC2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine
SMILESCC(C)(N)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H10F3N5/c1-8(2,13)5-3-14-7-15-6(9(10,11)12)16-17(7)4-5/h3-4H,13H2,1-2H3
InChIKeyRNIBGLRXCMUFFT-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.34
Rot. Bonds1

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

2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine (PubChem CID 84802833) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine
PubChem CID84802833
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine
SMILESCC(C)(N)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H10F3N5/c1-8(2,13)5-3-14-7-15-6(9(10,11)12)16-17(7)4-5/h3-4H,13H2,1-2H3
InChIKeyRNIBGLRXCMUFFT-UHFFFAOYSA-N
XLogP1.34
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72885337
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
6-Tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 123583424
4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine
CID 134241407
3-(1,1,2-Trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 139608471
2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 141189456
1-Tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
CID 141285084
2-(1-Methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 142794012
2,2-Difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine
CID 143813096
2-Fluoro-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 145436390
[1-[5-Methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine
CID 146195236

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine?
The IUPAC name of 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine (CID 84802833) is 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine is CC(C)(N)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine?
The InChIKey is RNIBGLRXCMUFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-8(2,13)5-3-14-7-15-6(9(10,11)12)16-17(7)4-5/h3-4H,13H2,1-2H3.
What are the key properties of 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine?
2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine has a molecular weight of 245.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-amine is sourced from PubChem (CID 84802833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).