5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one

C9H12F3N3O — CID 105495725

IUPAC5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
SMILESCc1c(N)c(C)n(C(F)(F)F)c(=O)c1CN
InChIInChI=1S/C9H12F3N3O/c1-4-6(3-13)8(16)15(9(10,11)12)5(2)7(4)14/h3,13-14H2,1-2H3
InChIKeyRYURPAKHPQFLGN-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.98
Rot. Bonds1

About 5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one

5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one (PubChem CID 105495725) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
PubChem CID105495725
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
SMILESCc1c(N)c(C)n(C(F)(F)F)c(=O)c1CN
InChIInChI=1S/C9H12F3N3O/c1-4-6(3-13)8(16)15(9(10,11)12)5(2)7(4)14/h3,13-14H2,1-2H3
InChIKeyRYURPAKHPQFLGN-UHFFFAOYSA-N
XLogP0.98
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one (CID 105495725) is 5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one is Cc1c(N)c(C)n(C(F)(F)F)c(=O)c1CN.
What is the InChIKey of 5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
The InChIKey is RYURPAKHPQFLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-4-6(3-13)8(16)15(9(10,11)12)5(2)7(4)14/h3,13-14H2,1-2H3.
What are the key properties of 5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one has a molecular weight of 235.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(aminomethyl)-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 105495725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).