2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide

C8H9F3N4O — CID 116786693

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide
SMILESCC(N)(C(=O)Nc1cccnn1)C(F)(F)F
InChIInChI=1S/C8H9F3N4O/c1-7(12,8(9,10)11)6(16)14-5-3-2-4-13-15-5/h2-4H,12H2,1H3,(H,14,15,16)
InChIKeySCQXLLDOLTXWPN-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.69
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide

2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide (PubChem CID 116786693) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide
PubChem CID116786693
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide
SMILESCC(N)(C(=O)Nc1cccnn1)C(F)(F)F
InChIInChI=1S/C8H9F3N4O/c1-7(12,8(9,10)11)6(16)14-5-3-2-4-13-15-5/h2-4H,12H2,1H3,(H,14,15,16)
InChIKeySCQXLLDOLTXWPN-UHFFFAOYSA-N
XLogP0.69
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-N-3-pyridazinylpropanamide
CID 21858219
Pyridazine-3-t-butylcarboxamide
CID 127109462
(2S,4R)-4-fluoro-N-(pyridazin-3-yl)pyrrolidine-2-carboxamide
CID 57937052
(2S)-4,4,4-trifluoro-2-methyl-1-(4-pyridazin-3-ylpiperazin-1-yl)butan-1-one
CID 68641409
4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide
CID 76652328
4,4,4-Trifluoro-2-methyl-1-(4-pyridazin-3-ylpiperazin-1-yl)but-2-en-1-one
CID 91054821
4,4,4-Trifluoro-3-methyl-1-(4-pyridazin-3-ylpiperazin-1-yl)but-2-en-1-one
CID 91549959
6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 126709316
1-(4-Pyridazin-3-yl-1,4-diazepan-1-yl)-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 56780006
3-methyl-N-pyridazin-3-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 84591740
6,6-difluoro-N-pyridazin-3-ylhex-5-enamide
CID 85871769
(3R)-3-methyl-N-pyridazin-3-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97607025

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide (CID 116786693) is 2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide is CC(N)(C(=O)Nc1cccnn1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide?
The InChIKey is SCQXLLDOLTXWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c1-7(12,8(9,10)11)6(16)14-5-3-2-4-13-15-5/h2-4H,12H2,1H3,(H,14,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide has a molecular weight of 234.18 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-pyridazin-3-ylpropanamide is sourced from PubChem (CID 116786693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).