3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide

C12H16F3N5O3 — CID 121137801

IUPAC3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide
SMILESCOc1nc(CNC(=O)CC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C12H16F3N5O3/c1-22-11-18-8(7-16-9(21)6-12(13,14)15)17-10(19-11)20-2-4-23-5-3-20/h2-7H2,1H3,(H,16,21)
InChIKeyMYEDUIDHMOJDGA-UHFFFAOYSA-N
MW335.29 g/mol
LogP0.29
Rot. Bonds5

About 3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide

3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide (PubChem CID 121137801) has the molecular formula C12H16F3N5O3 and a molecular weight of 335.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide
PubChem CID121137801
Molecular FormulaC12H16F3N5O3
Molecular Weight335.29 g/mol
Exact Mass335.12
IUPAC Name3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide
SMILESCOc1nc(CNC(=O)CC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C12H16F3N5O3/c1-22-11-18-8(7-16-9(21)6-12(13,14)15)17-10(19-11)20-2-4-23-5-3-20/h2-7H2,1H3,(H,16,21)
InChIKeyMYEDUIDHMOJDGA-UHFFFAOYSA-N
XLogP0.29
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide (CID 121137801) is 3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide is COc1nc(CNC(=O)CC(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide?
The InChIKey is MYEDUIDHMOJDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O3/c1-22-11-18-8(7-16-9(21)6-12(13,14)15)17-10(19-11)20-2-4-23-5-3-20/h2-7H2,1H3,(H,16,21).
What are the key properties of 3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide?
3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide has a molecular weight of 335.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]propanamide is sourced from PubChem (CID 121137801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).