2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one

C9H10F3N3O — CID 116592894

IUPAC2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(N)(C(=O)c1cnccc1N)C(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-8(14,9(10,11)12)7(16)5-4-15-3-2-6(5)13/h2-4H,14H2,1H3,(H2,13,15)
InChIKeyOJOHYFDCUBVVRK-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.13
Rot. Bonds2

About 2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one

2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one (PubChem CID 116592894) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one
PubChem CID116592894
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(N)(C(=O)c1cnccc1N)C(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-8(14,9(10,11)12)7(16)5-4-15-3-2-6(5)13/h2-4H,14H2,1H3,(H2,13,15)
InChIKeyOJOHYFDCUBVVRK-UHFFFAOYSA-N
XLogP1.13
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one
CID 116556928
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CID 116610776
1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
CID 79063685
1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one
CID 79051639
1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
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1-(4-amino-3-pyridinyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 79068133
(4-amino-3-pyridinyl)-(4-fluorophenyl)methanone
CID 11074797
4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103464710
2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 130562265
4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 114131524
2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 107514954
1-(4-amino-3-pyridinyl)-3-ethylpent-2-en-1-one
CID 103458733

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one (CID 116592894) is 2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one is CC(N)(C(=O)c1cnccc1N)C(F)(F)F.
What is the InChIKey of 2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one?
The InChIKey is OJOHYFDCUBVVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-8(14,9(10,11)12)7(16)5-4-15-3-2-6(5)13/h2-4H,14H2,1H3,(H2,13,15).
What are the key properties of 2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one?
2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one has a molecular weight of 233.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one is sourced from PubChem (CID 116592894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).