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

C15H21F3N6O2 — CID 122255129

IUPAC3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide
SMILESO=C(CC(F)(F)F)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H21F3N6O2/c16-15(17,18)9-12(25)19-10-11-20-13(23-3-1-2-4-23)22-14(21-11)24-5-7-26-8-6-24/h1-10H2,(H,19,25)
InChIKeyHWNYAVQAXIKEEY-UHFFFAOYSA-N
MW374.37 g/mol
LogP0.88
Rot. Bonds5

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

3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide (PubChem CID 122255129) has the molecular formula C15H21F3N6O2 and a molecular weight of 374.37 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide
PubChem CID122255129
Molecular FormulaC15H21F3N6O2
Molecular Weight374.37 g/mol
Exact Mass374.17
IUPAC Name3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide
SMILESO=C(CC(F)(F)F)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H21F3N6O2/c16-15(17,18)9-12(25)19-10-11-20-13(23-3-1-2-4-23)22-14(21-11)24-5-7-26-8-6-24/h1-10H2,(H,19,25)
InChIKeyHWNYAVQAXIKEEY-UHFFFAOYSA-N
XLogP0.88
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide 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 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide (CID 122255129) is 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide is O=C(CC(F)(F)F)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?
The InChIKey is HWNYAVQAXIKEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6O2/c16-15(17,18)9-12(25)19-10-11-20-13(23-3-1-2-4-23)22-14(21-11)24-5-7-26-8-6-24/h1-10H2,(H,19,25).
What are the key properties of 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?
3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide has a molecular weight of 374.37 g/mol, XLogP of 0.88, 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-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide is sourced from PubChem (CID 122255129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).