4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one

C9H14F3N3O — CID 122640414

IUPAC4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one
SMILESCCN1C(=O)C(NC)C(N)=CC1C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-3-15-6(9(10,11)12)4-5(13)7(14-2)8(15)16/h4,6-7,14H,3,13H2,1-2H3
InChIKeyVRWNXUCULDCQDH-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.21
Rot. Bonds2

About 4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one

4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one (PubChem CID 122640414) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one
PubChem CID122640414
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one
SMILESCCN1C(=O)C(NC)C(N)=CC1C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-3-15-6(9(10,11)12)4-5(13)7(14-2)8(15)16/h4,6-7,14H,3,13H2,1-2H3
InChIKeyVRWNXUCULDCQDH-UHFFFAOYSA-N
XLogP0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one?
The IUPAC name of 4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one (CID 122640414) is 4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one.
What is the SMILES notation for 4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one?
The canonical SMILES for 4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one is CCN1C(=O)C(NC)C(N)=CC1C(F)(F)F.
What is the InChIKey of 4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one?
The InChIKey is VRWNXUCULDCQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-3-15-6(9(10,11)12)4-5(13)7(14-2)8(15)16/h4,6-7,14H,3,13H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one?
4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one has a molecular weight of 237.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-5-(methylamino)-2-(trifluoromethyl)-2,5-dihydropyridin-6-one is sourced from PubChem (CID 122640414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).