3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one

C15H18F3N5O2 — CID 17450895

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C15H18F3N5O2/c1-9-11(3-4-12(24)22-5-7-25-8-6-22)10(2)23-14(19-9)20-13(21-23)15(16,17)18/h3-8H2,1-2H3
InChIKeyLPZUMKZSPKYHHU-UHFFFAOYSA-N
MW357.34 g/mol
LogP1.55
Rot. Bonds3

About 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 17450895) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID17450895
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C15H18F3N5O2/c1-9-11(3-4-12(24)22-5-7-25-8-6-22)10(2)23-14(19-9)20-13(21-23)15(16,17)18/h3-8H2,1-2H3
InChIKeyLPZUMKZSPKYHHU-UHFFFAOYSA-N
XLogP1.55
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[3-(2,5,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3245533
Ethyl 4-[3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate
CID 3242076
8-[3-(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3242884
5,7-Dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 3243570
N-propyl-3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 16195315
2,5,7-Trimethyl-6-(3-morpholin-4-yl-3-oxopropyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 3243462
Ethyl 1-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL}propanoyl)piperidine-4-carboxylate
CID 9551405
3-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylpropan-1-one
CID 6622328
N-(2,2-Diethoxyethyl)-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL}propanamide
CID 9551397
1-(3,5-Dimethylpiperidin-1-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 9551403
Ethyl 1-[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate
CID 3236608
Ethyl 4-{[3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}piperidine-1-carboxylate
CID 3241437

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one (CID 17450895) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCOCC1.
What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is LPZUMKZSPKYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-9-11(3-4-12(24)22-5-7-25-8-6-22)10(2)23-14(19-9)20-13(21-23)15(16,17)18/h3-8H2,1-2H3.
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one?
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 357.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 17450895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).