N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide

C11H12F3N3O2 — CID 171493697

IUPACN-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide
SMILESCC(=O)NCC1CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-5(18)15-4-6-2-3-7-8(11(12,13)14)10(19)17-16-9(6)7/h6H,2-4H2,1H3,(H,15,18)(H,17,19)
InChIKeyVIAFQSISPJNJGU-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.95
Rot. Bonds2

About N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide

N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide (PubChem CID 171493697) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide
PubChem CID171493697
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC NameN-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide
SMILESCC(=O)NCC1CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-5(18)15-4-6-2-3-7-8(11(12,13)14)10(19)17-16-9(6)7/h6H,2-4H2,1H3,(H,15,18)(H,17,19)
InChIKeyVIAFQSISPJNJGU-UHFFFAOYSA-N
XLogP0.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide
CID 171492779
7-(Methylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493031
N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide
CID 171493050
(2R)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide
CID 171493060
N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-3-piperidin-4-ylpropanamide
CID 171493119
butane;N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]butanamide
CID 171493205
(2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide
CID 171493298
trans-(1S,2S)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-(difluoromethyl)cyclopropane-1-carboxamide
CID 132287711
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 137989522
N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]pentanamide
CID 171492669
N-butyl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide
CID 171492727
3-[[6-methyl-3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide
CID 171492787

Frequently Asked Questions

What is the IUPAC name of N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide?
The IUPAC name of N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide (CID 171493697) is N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide?
The canonical SMILES for N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide is CC(=O)NCC1CCc2c1n[nH]c(=O)c2C(F)(F)F.
What is the InChIKey of N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide?
The InChIKey is VIAFQSISPJNJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-5(18)15-4-6-2-3-7-8(11(12,13)14)10(19)17-16-9(6)7/h6H,2-4H2,1H3,(H,15,18)(H,17,19).
What are the key properties of N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide?
N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide has a molecular weight of 275.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]methyl]acetamide is sourced from PubChem (CID 171493697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).