N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine

C10H12F3N3O — CID 78908037

IUPACN-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine
SMILESFC(F)(F)c1ccc(NN2CCOCC2)nc1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-1-2-9(14-7-8)15-16-3-5-17-6-4-16/h1-2,7H,3-6H2,(H,14,15)
InChIKeyKYPUIKVBTZDWEE-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.76
Rot. Bonds2

About N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine

N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine (PubChem CID 78908037) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine
PubChem CID78908037
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine
SMILESFC(F)(F)c1ccc(NN2CCOCC2)nc1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-1-2-9(14-7-8)15-16-3-5-17-6-4-16/h1-2,7H,3-6H2,(H,14,15)
InChIKeyKYPUIKVBTZDWEE-UHFFFAOYSA-N
XLogP1.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine?
The IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine (CID 78908037) is N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine.
What is the SMILES notation for N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine?
The canonical SMILES for N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine is FC(F)(F)c1ccc(NN2CCOCC2)nc1.
What is the InChIKey of N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine?
The InChIKey is KYPUIKVBTZDWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-1-2-9(14-7-8)15-16-3-5-17-6-4-16/h1-2,7H,3-6H2,(H,14,15).
What are the key properties of N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine?
N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine has a molecular weight of 247.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine is sourced from PubChem (CID 78908037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).