5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H14F3N5S — CID 133336478

IUPAC5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(Nc1cc(C)nc2nc(C(F)(F)F)nn12)c1cccs1
InChIInChI=1S/C14H14F3N5S/c1-3-9(10-5-4-6-23-10)19-11-7-8(2)18-13-20-12(14(15,16)17)21-22(11)13/h4-7,9,19H,3H2,1-2H3
InChIKeyKNGABRKMEHWIPH-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.08
Rot. Bonds4

About 5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133336478) has the molecular formula C14H14F3N5S and a molecular weight of 341.36 g/mol. Its IUPAC name is 5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133336478
Molecular FormulaC14H14F3N5S
Molecular Weight341.36 g/mol
Exact Mass341.09
IUPAC Name5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(Nc1cc(C)nc2nc(C(F)(F)F)nn12)c1cccs1
InChIInChI=1S/C14H14F3N5S/c1-3-9(10-5-4-6-23-10)19-11-7-8(2)18-13-20-12(14(15,16)17)21-22(11)13/h4-7,9,19H,3H2,1-2H3
InChIKeyKNGABRKMEHWIPH-UHFFFAOYSA-N
XLogP4.08
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133286685
5-methyl-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 97340074
5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133378129
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
(2S)-2-N-benzyl-3,3,3-trifluoro-1-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propane-1,2-diamine
CID 124721244
N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 49430311
5-methyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 94431648
5-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 127265997
5-methyl-N-[1-(oxan-4-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133366229
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287054

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133336478) is 5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCC(Nc1cc(C)nc2nc(C(F)(F)F)nn12)c1cccs1.
What is the InChIKey of 5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KNGABRKMEHWIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5S/c1-3-9(10-5-4-6-23-10)19-11-7-8(2)18-13-20-12(14(15,16)17)21-22(11)13/h4-7,9,19H,3H2,1-2H3.
What are the key properties of 5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 341.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133336478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).