4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine

C15H25F3N4O — CID 138001899

IUPAC4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
SMILESCC(C)Cn1c(CC(F)(F)F)nnc1N1CCOC(C(C)C)C1
InChIInChI=1S/C15H25F3N4O/c1-10(2)8-22-13(7-15(16,17)18)19-20-14(22)21-5-6-23-12(9-21)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyIFHYOBXLJSPRAI-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.90
Rot. Bonds5

About 4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine

4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine (PubChem CID 138001899) has the molecular formula C15H25F3N4O and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
PubChem CID138001899
Molecular FormulaC15H25F3N4O
Molecular Weight334.39 g/mol
Exact Mass334.20
IUPAC Name4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
SMILESCC(C)Cn1c(CC(F)(F)F)nnc1N1CCOC(C(C)C)C1
InChIInChI=1S/C15H25F3N4O/c1-10(2)8-22-13(7-15(16,17)18)19-20-14(22)21-5-6-23-12(9-21)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyIFHYOBXLJSPRAI-UHFFFAOYSA-N
XLogP2.90
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine with MolForge

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Related Compounds

2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
CID 72141688
(6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane
CID 164633704
N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 164636521
(6S)-2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)morpholine
CID 164637436
4-(5-Ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine
CID 3585966
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
3-Chloro-5-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 63827792
3-Chloro-5-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 63827793
4-({4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70716883
4-[4-[5-Methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 72855250
4-{[5-(1,4-dioxan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl}-1-methylpiperidine
CID 72893292
3-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol
CID 80447993

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
The IUPAC name of 4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine (CID 138001899) is 4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine.
What is the SMILES notation for 4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
The canonical SMILES for 4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine is CC(C)Cn1c(CC(F)(F)F)nnc1N1CCOC(C(C)C)C1.
What is the InChIKey of 4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
The InChIKey is IFHYOBXLJSPRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N4O/c1-10(2)8-22-13(7-15(16,17)18)19-20-14(22)21-5-6-23-12(9-21)11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine has a molecular weight of 334.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine is sourced from PubChem (CID 138001899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).