4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine

C16H20F3N5O — CID 97438359

IUPAC4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine
SMILESC[C@H](Cc1nc(-c2ccncc2)nn1CC(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H20F3N5O/c1-12(23-6-8-25-9-7-23)10-14-21-15(13-2-4-20-5-3-13)22-24(14)11-16(17,18)19/h2-5,12H,6-11H2,1H3/t12-/m1/s1
InChIKeyXOAPFLCEPAUNTI-GFCCVEGCSA-N
MW355.36 g/mol
LogP2.17
Rot. Bonds5

About 4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine

4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine (PubChem CID 97438359) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine
PubChem CID97438359
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine
SMILESC[C@H](Cc1nc(-c2ccncc2)nn1CC(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H20F3N5O/c1-12(23-6-8-25-9-7-23)10-14-21-15(13-2-4-20-5-3-13)22-24(14)11-16(17,18)19/h2-5,12H,6-11H2,1H3/t12-/m1/s1
InChIKeyXOAPFLCEPAUNTI-GFCCVEGCSA-N
XLogP2.17
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-fluorophenyl)-5-(2-morpholin-4-ylpropyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol
CID 131889266
(3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine
CID 97452395
4-[[2-[(4-ethylphenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]methyl]morpholine
CID 72840539
N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 95873812
N-(2-morpholin-4-ylpropyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166205965
4-(1-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)morpholine
CID 168943600
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine
CID 71364184
ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine
CID 143833538
4-[2-(5-pyridin-4-yltetrazol-2-yl)ethyl]morpholine
CID 859200
4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine
CID 164835741
2-morpholin-4-yl-1-phenyl-1-pyridin-4-ylpropan-1-ol
CID 70794231

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine?
The IUPAC name of 4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine (CID 97438359) is 4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine.
What is the SMILES notation for 4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine?
The canonical SMILES for 4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine is C[C@H](Cc1nc(-c2ccncc2)nn1CC(F)(F)F)N1CCOCC1.
What is the InChIKey of 4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine?
The InChIKey is XOAPFLCEPAUNTI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-12(23-6-8-25-9-7-23)10-14-21-15(13-2-4-20-5-3-13)22-24(14)11-16(17,18)19/h2-5,12H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine?
4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine has a molecular weight of 355.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propan-2-yl]morpholine is sourced from PubChem (CID 97438359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).