3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one

C15H19F3N6O2 — CID 133365692

IUPAC3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one
SMILESCC(C)C(Nc1cc(C(F)(F)F)nc2ncnn12)C(=O)N1CCOCC1
InChIInChI=1S/C15H19F3N6O2/c1-9(2)12(13(25)23-3-5-26-6-4-23)22-11-7-10(15(16,17)18)21-14-19-8-20-24(11)14/h7-9,12,22H,3-6H2,1-2H3
InChIKeyBVYLRBOKVQQAFH-UHFFFAOYSA-N
MW372.35 g/mol
LogP1.44
Rot. Bonds4

About 3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one

3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one (PubChem CID 133365692) has the molecular formula C15H19F3N6O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one
PubChem CID133365692
Molecular FormulaC15H19F3N6O2
Molecular Weight372.35 g/mol
Exact Mass372.15
IUPAC Name3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one
SMILESCC(C)C(Nc1cc(C(F)(F)F)nc2ncnn12)C(=O)N1CCOCC1
InChIInChI=1S/C15H19F3N6O2/c1-9(2)12(13(25)23-3-5-26-6-4-23)22-11-7-10(15(16,17)18)21-14-19-8-20-24(11)14/h7-9,12,22H,3-6H2,1-2H3
InChIKeyBVYLRBOKVQQAFH-UHFFFAOYSA-N
XLogP1.44
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one?
The IUPAC name of 3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one (CID 133365692) is 3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one.
What is the SMILES notation for 3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one?
The canonical SMILES for 3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one is CC(C)C(Nc1cc(C(F)(F)F)nc2ncnn12)C(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one?
The InChIKey is BVYLRBOKVQQAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O2/c1-9(2)12(13(25)23-3-5-26-6-4-23)22-11-7-10(15(16,17)18)21-14-19-8-20-24(11)14/h7-9,12,22H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one?
3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one has a molecular weight of 372.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-morpholin-4-yl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]butan-1-one is sourced from PubChem (CID 133365692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).