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

C13H17F3N6O — CID 42589503

IUPAC5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCN2CCOCC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H17F3N6O/c1-9-8-10(17-2-3-21-4-6-23-7-5-21)22-12(18-9)19-11(20-22)13(14,15)16/h8,17H,2-7H2,1H3
InChIKeyQFMIVOLSMVCNIW-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.20
Rot. Bonds4

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

5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 42589503) has the molecular formula C13H17F3N6O and a molecular weight of 330.31 g/mol. Its IUPAC name is 5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID42589503
Molecular FormulaC13H17F3N6O
Molecular Weight330.31 g/mol
Exact Mass330.14
IUPAC Name5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCN2CCOCC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H17F3N6O/c1-9-8-10(17-2-3-21-4-6-23-7-5-21)22-12(18-9)19-11(20-22)13(14,15)16/h8,17H,2-7H2,1H3
InChIKeyQFMIVOLSMVCNIW-UHFFFAOYSA-N
XLogP1.20
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 42589503) is 5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCN2CCOCC2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QFMIVOLSMVCNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6O/c1-9-8-10(17-2-3-21-4-6-23-7-5-21)22-12(18-9)19-11(20-22)13(14,15)16/h8,17H,2-7H2,1H3.
What are the key properties of 5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 330.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 42589503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).