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

C10H7F3N6S — CID 49430783

IUPACN-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NCc2cscn2)n2ncnc2n1
InChIInChI=1S/C10H7F3N6S/c11-10(12,13)7-1-8(14-2-6-3-20-5-16-6)19-9(18-7)15-4-17-19/h1,3-5,14H,2H2
InChIKeyPLJNLMRYCZOAMO-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.21
Rot. Bonds3

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

N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 49430783) has the molecular formula C10H7F3N6S and a molecular weight of 300.27 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID49430783
Molecular FormulaC10H7F3N6S
Molecular Weight300.27 g/mol
Exact Mass300.04
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NCc2cscn2)n2ncnc2n1
InChIInChI=1S/C10H7F3N6S/c11-10(12,13)7-1-8(14-2-6-3-20-5-16-6)19-9(18-7)15-4-17-19/h1,3-5,14H,2H2
InChIKeyPLJNLMRYCZOAMO-UHFFFAOYSA-N
XLogP2.21
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 49430783) is 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-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1cc(NCc2cscn2)n2ncnc2n1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PLJNLMRYCZOAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N6S/c11-10(12,13)7-1-8(14-2-6-3-20-5-16-6)19-9(18-7)15-4-17-19/h1,3-5,14H,2H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 300.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 49430783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).