N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide

C15H24F3N5O2 — CID 128695959

IUPACN-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCc2nc(C(C)(C)C)n[nH]2)CC(C(F)(F)F)O1
InChIInChI=1S/C15H24F3N5O2/c1-13(2,3)11-20-10(21-22-11)6-19-12(24)23-7-9(15(16,17)18)25-14(4,5)8-23/h9H,6-8H2,1-5H3,(H,19,24)(H,20,21,22)
InChIKeyKXVLQDRFCRBVNF-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.35
Rot. Bonds2

About N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide

N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 128695959) has the molecular formula C15H24F3N5O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID128695959
Molecular FormulaC15H24F3N5O2
Molecular Weight363.38 g/mol
Exact Mass363.19
IUPAC NameN-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCc2nc(C(C)(C)C)n[nH]2)CC(C(F)(F)F)O1
InChIInChI=1S/C15H24F3N5O2/c1-13(2,3)11-20-10(21-22-11)6-19-12(24)23-7-9(15(16,17)18)25-14(4,5)8-23/h9H,6-8H2,1-5H3,(H,19,24)(H,20,21,22)
InChIKeyKXVLQDRFCRBVNF-UHFFFAOYSA-N
XLogP2.35
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide (CID 128695959) is N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide is CC1(C)CN(C(=O)NCc2nc(C(C)(C)C)n[nH]2)CC(C(F)(F)F)O1.
What is the InChIKey of N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is KXVLQDRFCRBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O2/c1-13(2,3)11-20-10(21-22-11)6-19-12(24)23-7-9(15(16,17)18)25-14(4,5)8-23/h9H,6-8H2,1-5H3,(H,19,24)(H,20,21,22).
What are the key properties of N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide?
N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 128695959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).