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

C12H15F3N6O — CID 133280976

IUPACN-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCOC(CNc2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C12H15F3N6O/c1-20-2-3-22-8(6-20)5-16-10-4-9(12(13,14)15)19-11-17-7-18-21(10)11/h4,7-8,16H,2-3,5-6H2,1H3
InChIKeyOFNZKXOGVDYLEK-UHFFFAOYSA-N
MW316.29 g/mol
LogP0.89
Rot. Bonds3

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

N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133280976) has the molecular formula C12H15F3N6O and a molecular weight of 316.29 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133280976
Molecular FormulaC12H15F3N6O
Molecular Weight316.29 g/mol
Exact Mass316.13
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCOC(CNc2cc(C(F)(F)F)nc3ncnn23)C1
InChIInChI=1S/C12H15F3N6O/c1-20-2-3-22-8(6-20)5-16-10-4-9(12(13,14)15)19-11-17-7-18-21(10)11/h4,7-8,16H,2-3,5-6H2,1H3
InChIKeyOFNZKXOGVDYLEK-UHFFFAOYSA-N
XLogP0.89
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133280976) is N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CN1CCOC(CNc2cc(C(F)(F)F)nc3ncnn23)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OFNZKXOGVDYLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6O/c1-20-2-3-22-8(6-20)5-16-10-4-9(12(13,14)15)19-11-17-7-18-21(10)11/h4,7-8,16H,2-3,5-6H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 316.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133280976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).