5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H9F3N6S — CID 49430796

IUPAC5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cscn2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C11H9F3N6S/c1-6-2-8(15-3-7-4-21-5-16-7)20-10(17-6)18-9(19-20)11(12,13)14/h2,4-5,15H,3H2,1H3
InChIKeyCKTDRJMWKJOIGE-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.52
Rot. Bonds3

About 5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 49430796) has the molecular formula C11H9F3N6S and a molecular weight of 314.30 g/mol. Its IUPAC name is 5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID49430796
Molecular FormulaC11H9F3N6S
Molecular Weight314.30 g/mol
Exact Mass314.06
IUPAC Name5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cscn2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C11H9F3N6S/c1-6-2-8(15-3-7-4-21-5-16-7)20-10(17-6)18-9(19-20)11(12,13)14/h2,4-5,15H,3H2,1H3
InChIKeyCKTDRJMWKJOIGE-UHFFFAOYSA-N
XLogP2.52
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 49430796) is 5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2cscn2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CKTDRJMWKJOIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N6S/c1-6-2-8(15-3-7-4-21-5-16-7)20-10(17-6)18-9(19-20)11(12,13)14/h2,4-5,15H,3H2,1H3.
What are the key properties of 5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 314.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 49430796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).