1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one

C10H10F3N3O — CID 82817749

IUPAC1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)8-3-2-7(6-15-8)16-5-1-4-14-9(16)17/h2-3,6H,1,4-5H2,(H,14,17)
InChIKeyAMGUMZKSRXKBJE-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.02
Rot. Bonds1

About 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one

1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one (PubChem CID 82817749) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one
PubChem CID82817749
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)8-3-2-7(6-15-8)16-5-1-4-14-9(16)17/h2-3,6H,1,4-5H2,(H,14,17)
InChIKeyAMGUMZKSRXKBJE-UHFFFAOYSA-N
XLogP2.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one (CID 82817749) is 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one is O=C1NCCCN1c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one?
The InChIKey is AMGUMZKSRXKBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)8-3-2-7(6-15-8)16-5-1-4-14-9(16)17/h2-3,6H,1,4-5H2,(H,14,17).
What are the key properties of 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one?
1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one has a molecular weight of 245.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-one is sourced from PubChem (CID 82817749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).