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

C12H13F3N6O — CID 97209299

IUPAC(3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one
SMILESCc1cc(N[C@H]2CCCNC2=O)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C12H13F3N6O/c1-6-5-8(18-7-3-2-4-16-9(7)22)21-11(17-6)19-10(20-21)12(13,14)15/h5,7,18H,2-4H2,1H3,(H,16,22)/t7-/m0/s1
InChIKeyORCRGFQZXTYYLN-ZETCQYMHSA-N
MW314.27 g/mol
LogP1.14
Rot. Bonds2

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

(3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one (PubChem CID 97209299) has the molecular formula C12H13F3N6O and a molecular weight of 314.27 g/mol. Its IUPAC name is (3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one
PubChem CID97209299
Molecular FormulaC12H13F3N6O
Molecular Weight314.27 g/mol
Exact Mass314.11
IUPAC Name(3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one
SMILESCc1cc(N[C@H]2CCCNC2=O)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C12H13F3N6O/c1-6-5-8(18-7-3-2-4-16-9(7)22)21-11(17-6)19-10(20-21)12(13,14)15/h5,7,18H,2-4H2,1H3,(H,16,22)/t7-/m0/s1
InChIKeyORCRGFQZXTYYLN-ZETCQYMHSA-N
XLogP1.14
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one?
The IUPAC name of (3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one (CID 97209299) is (3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one.
What is the SMILES notation for (3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one?
The canonical SMILES for (3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one is Cc1cc(N[C@H]2CCCNC2=O)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of (3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one?
The InChIKey is ORCRGFQZXTYYLN-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13F3N6O/c1-6-5-8(18-7-3-2-4-16-9(7)22)21-11(17-6)19-10(20-21)12(13,14)15/h5,7,18H,2-4H2,1H3,(H,16,22)/t7-/m0/s1.
What are the key properties of (3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one?
(3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one has a molecular weight of 314.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one is sourced from PubChem (CID 97209299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).