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

C11H9F3N6S — CID 47983853

IUPACN-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(Cc1cscn1)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C11H9F3N6S/c1-19(3-7-4-21-6-16-7)9-2-8(11(12,13)14)18-10-15-5-17-20(9)10/h2,4-6H,3H2,1H3
InChIKeyDZWMWYGUTYGZNH-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.24
Rot. Bonds3

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

N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 47983853) has the molecular formula C11H9F3N6S and a molecular weight of 314.30 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID47983853
Molecular FormulaC11H9F3N6S
Molecular Weight314.30 g/mol
Exact Mass314.06
IUPAC NameN-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(Cc1cscn1)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C11H9F3N6S/c1-19(3-7-4-21-6-16-7)9-2-8(11(12,13)14)18-10-15-5-17-20(9)10/h2,4-6H,3H2,1H3
InChIKeyDZWMWYGUTYGZNH-UHFFFAOYSA-N
XLogP2.24
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 47983853) is N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CN(Cc1cscn1)c1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DZWMWYGUTYGZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N6S/c1-19(3-7-4-21-6-16-7)9-2-8(11(12,13)14)18-10-15-5-17-20(9)10/h2,4-6H,3H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 314.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 47983853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).