7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

C21H31F3N3OU- — CID 171493576

About 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (PubChem CID 171493576) has the molecular formula C21H31F3N3OU- and a molecular weight of 636.52 g/mol. Its IUPAC name is 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium.

Molecular Properties

• Compound Name: 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
• PubChem CID: 171493576
• Molecular Formula: C21H31F3N3OU-
• Molecular Weight: 636.52 g/mol
• Exact Mass: 636.29
• IUPAC Name: 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
• SMILES: [H]/[C-]=C(/CCC(CCC)CCCC)N(C)C1CCc2c1n[nH]c(=O)c2C(F)(F)F.[U]
• InChI: InChI=1S/C21H31F3N3O.U/c1-5-7-9-15(8-6-2)11-10-14(3)27(4)17-13-12-16-18(21(22,23)24)20(28)26-25-19(16)17;/h3,15,17H,5-13H2,1-2,4H3,(H,26,28);/q-1
• InChIKey: SHWFPLCBTGLSEV-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.52
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The IUPAC name of 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (CID 171493576) is 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium.

What is the SMILES notation for 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The canonical SMILES for 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium is [H]/[C-]=C(/CCC(CCC)CCCC)N(C)C1CCc2c1n[nH]c(=O)c2C(F)(F)F.[U].

What is the InChIKey of 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

The InChIKey is SHWFPLCBTGLSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F3N3O.U/c1-5-7-9-15(8-6-2)11-10-14(3)27(4)17-13-12-16-18(21(22,23)24)20(28)26-25-19(16)17;/h3,15,17H,5-13H2,1-2,4H3,(H,26,28);/q-1;.

What are the key properties of 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?

7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium has a molecular weight of 636.52 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[methyl(5-propylnon-1-en-2-yl)amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium is sourced from PubChem (CID 171493576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).