N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide

C8H9F3N4O — CID 116786691

IUPACN-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cccnn1
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)5-12-4-7(16)14-6-2-1-3-13-15-6/h1-3,12H,4-5H2,(H,14,15,16)
InChIKeyNKBMNDSPWNTMPA-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.57
Rot. Bonds4

About N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide

N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 116786691) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID116786691
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC NameN-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cccnn1
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)5-12-4-7(16)14-6-2-1-3-13-15-6/h1-3,12H,4-5H2,(H,14,15,16)
InChIKeyNKBMNDSPWNTMPA-UHFFFAOYSA-N
XLogP0.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(pyridazin-3-yl)ethane-1,2-diamine
CID 22118660
1-[4-(Pyridazin-3-ylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 75533107
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
4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide
CID 76652328
6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 126709316
4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide
CID 143338717
1-[4-(6-Aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 174490674
N-(5,5-difluoropiperidin-3-yl)pyridazin-3-amine
CID 176652808
1-(4-Pyridazin-3-yl-1,4-diazepan-1-yl)-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 56780006
N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62481008

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide (CID 116786691) is N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1cccnn1.
What is the InChIKey of N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is NKBMNDSPWNTMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c9-8(10,11)5-12-4-7(16)14-6-2-1-3-13-15-6/h1-3,12H,4-5H2,(H,14,15,16).
What are the key properties of N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide?
N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 234.18 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 116786691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).