7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one

C15H18F3N3O2 — CID 171493325

IUPAC7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
SMILESCC=C(C1CCc2c1n[nH]c(=O)c2C(F)(F)F)N(C)CC(C)=O
InChIInChI=1S/C15H18F3N3O2/c1-4-11(21(3)7-8(2)22)9-5-6-10-12(15(16,17)18)14(23)20-19-13(9)10/h4,9H,5-7H2,1-3H3,(H,20,23)
InChIKeyDMVQHZDUDQUZNH-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.24
Rot. Bonds4

About 7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one

7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one (PubChem CID 171493325) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
PubChem CID171493325
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
SMILESCC=C(C1CCc2c1n[nH]c(=O)c2C(F)(F)F)N(C)CC(C)=O
InChIInChI=1S/C15H18F3N3O2/c1-4-11(21(3)7-8(2)22)9-5-6-10-12(15(16,17)18)14(23)20-19-13(9)10/h4,9H,5-7H2,1-3H3,(H,20,23)
InChIKeyDMVQHZDUDQUZNH-UHFFFAOYSA-N
XLogP2.24
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[Methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
CID 171493576
7-[Methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171492960
7-[2-Hydroxy-1-[methyl(2-oxopropyl)amino]ethenyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493161
7-[Methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493577
7-[2-Hydroxy-1-(2-oxopropylamino)ethenyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493739

Frequently Asked Questions

What is the IUPAC name of 7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The IUPAC name of 7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one (CID 171493325) is 7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The canonical SMILES for 7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one is CC=C(C1CCc2c1n[nH]c(=O)c2C(F)(F)F)N(C)CC(C)=O.
What is the InChIKey of 7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The InChIKey is DMVQHZDUDQUZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-4-11(21(3)7-8(2)22)9-5-6-10-12(15(16,17)18)14(23)20-19-13(9)10/h4,9H,5-7H2,1-3H3,(H,20,23).
What are the key properties of 7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one has a molecular weight of 329.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[methyl(2-oxopropyl)amino]prop-1-enyl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 171493325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).