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

C11H8F3N5S — CID 3227215

IUPACN-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NCc2cccs2)n2ncnc2n1
InChIInChI=1S/C11H8F3N5S/c12-11(13,14)8-4-9(15-5-7-2-1-3-20-7)19-10(18-8)16-6-17-19/h1-4,6,15H,5H2
InChIKeySOYMIVTYAOYWLS-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.82
Rot. Bonds3

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

N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3227215) has the molecular formula C11H8F3N5S and a molecular weight of 299.28 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID3227215
Molecular FormulaC11H8F3N5S
Molecular Weight299.28 g/mol
Exact Mass299.05
IUPAC NameN-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NCc2cccs2)n2ncnc2n1
InChIInChI=1S/C11H8F3N5S/c12-11(13,14)8-4-9(15-5-7-2-1-3-20-7)19-10(18-8)16-6-17-19/h1-4,6,15H,5H2
InChIKeySOYMIVTYAOYWLS-UHFFFAOYSA-N
XLogP2.82
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 3227218
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CID 3245539
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CID 6279969
CID 6279969
CID 25110719
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CID 32801070
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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 3227215) is N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1cc(NCc2cccs2)n2ncnc2n1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SOYMIVTYAOYWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5S/c12-11(13,14)8-4-9(15-5-7-2-1-3-20-7)19-10(18-8)16-6-17-19/h1-4,6,15H,5H2.
What are the key properties of N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 299.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3227215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).