3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one

C15H19F3N6O2 — CID 133377398

IUPAC3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(Nc2cc(C(F)(F)F)nc3ncnn23)CC1
InChIInChI=1S/C15H19F3N6O2/c1-26-7-4-13(25)23-5-2-10(3-6-23)21-12-8-11(15(16,17)18)22-14-19-9-20-24(12)14/h8-10,21H,2-7H2,1H3
InChIKeyCXXUWXXORSWCIL-UHFFFAOYSA-N
MW372.35 g/mol
LogP1.58
Rot. Bonds5

About 3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one

3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one (PubChem CID 133377398) has the molecular formula C15H19F3N6O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one
PubChem CID133377398
Molecular FormulaC15H19F3N6O2
Molecular Weight372.35 g/mol
Exact Mass372.15
IUPAC Name3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(Nc2cc(C(F)(F)F)nc3ncnn23)CC1
InChIInChI=1S/C15H19F3N6O2/c1-26-7-4-13(25)23-5-2-10(3-6-23)21-12-8-11(15(16,17)18)22-14-19-9-20-24(12)14/h8-10,21H,2-7H2,1H3
InChIKeyCXXUWXXORSWCIL-UHFFFAOYSA-N
XLogP1.58
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Ethyl-1-(1-{5-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}piperidin-4-YL)urea
CID 45106448
N-(3-methoxypropyl)-2-[methyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetamide
CID 33982540
N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53601939
2-[4-[5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]propanamide
CID 72102660
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 91631408
N-ethyl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide
CID 33988118
N-[(2R)-butan-2-yl]-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide
CID 33988727
N-[(2S)-butan-2-yl]-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide
CID 33988732
N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide
CID 42954840
N,N-dimethyl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanamide
CID 45833889
N-(oxan-4-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 45834146
4-[5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-2-one
CID 47277436

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one (CID 133377398) is 3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(Nc2cc(C(F)(F)F)nc3ncnn23)CC1.
What is the InChIKey of 3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is CXXUWXXORSWCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O2/c1-26-7-4-13(25)23-5-2-10(3-6-23)21-12-8-11(15(16,17)18)22-14-19-9-20-24(12)14/h8-10,21H,2-7H2,1H3.
What are the key properties of 3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 372.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 133377398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).