7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium

C30H44F3N6OU- — CID 171492959

IUPAC7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium
SMILES[H]/N=C/c1ccc(C)nc1.[H]/[C-]=C(\CCN(C)C1CCc2c1n[nH]c(=O)c2C(F)(F)F)N(CCC)CCCC(C)CC.[U]
InChIInChI=1S/C23H36F3N4O.C7H8N2.U/c1-6-13-30(14-8-9-16(3)7-2)17(4)12-15-29(5)19-11-10-18-20(23(24,25)26)22(31)28-27-21(18)19;1-6-2-3-7(4-8)5-9-6;/h4,16,19H,6-15H2,1-3,5H3,(H,28,31);2-5,8H,1H3;/q-1;;/b;8-4+;
InChIKeyFEEGJZBVMVUVFT-UCBLOGBOSA-N
MW799.75 g/mol
LogP6.34
Rot. Bonds13

About 7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium

7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium (PubChem CID 171492959) has the molecular formula C30H44F3N6OU- and a molecular weight of 799.75 g/mol. Its IUPAC name is 7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium.

Molecular Properties

Compound Name7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium
PubChem CID171492959
Molecular FormulaC30H44F3N6OU-
Molecular Weight799.75 g/mol
Exact Mass799.40
IUPAC Name7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium
SMILES[H]/N=C/c1ccc(C)nc1.[H]/[C-]=C(\CCN(C)C1CCc2c1n[nH]c(=O)c2C(F)(F)F)N(CCC)CCCC(C)CC.[U]
InChIInChI=1S/C23H36F3N4O.C7H8N2.U/c1-6-13-30(14-8-9-16(3)7-2)17(4)12-15-29(5)19-11-10-18-20(23(24,25)26)22(31)28-27-21(18)19;1-6-2-3-7(4-8)5-9-6;/h4,16,19H,6-15H2,1-3,5H3,(H,28,31);2-5,8H,1H3;/q-1;;/b;8-4+;
InChIKeyFEEGJZBVMVUVFT-UCBLOGBOSA-N
XLogP6.34
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.75
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium with MolForge

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Related Compounds

N'-[(E)-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene]pyridine-4-carbohydrazide
CID 9564856
US10975084, Example 11-132
CID 156907803
6-oxo-N'-[1-(3-pyridinyl)ethylidene]-1,6-dihydro-3-pyridazinecarbohydrazide
CID 9616003
N-{2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1H-pyrrol-1-yl}acetamide
CID 56872932
3-Hydroxy-6-(3-pyridinyl)-4-(trifluoromethyl)pyridazine
CID 12170157
3-Hydroxy-6-(4-pyridinyl)-4-(trifluoromethyl)pyridazine
CID 57364033
5-methyl-3-pyridin-2-yl-1H-pyridazin-6-one
CID 2801710
6-(2-Pyridinyl)-4-(trifluoromethyl)-3(2H)-pyridazinone
CID 12170156
1-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]-3,6-dihydro-2H-pyridine-5-carboxamide
CID 5702371
4-Amino-6-(pyridin-3-yl)pyridazin-3-ol
CID 14435158
(4E)-2-(4-fluorophenyl)-5-propyl-4-{[(pyridin-3-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
CID 706027
N-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 1231206

Frequently Asked Questions

What is the IUPAC name of 7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium?
The IUPAC name of 7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium (CID 171492959) is 7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium.
What is the SMILES notation for 7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium?
The canonical SMILES for 7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium is [H]/N=C/c1ccc(C)nc1.[H]/[C-]=C(\CCN(C)C1CCc2c1n[nH]c(=O)c2C(F)(F)F)N(CCC)CCCC(C)CC.[U].
What is the InChIKey of 7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium?
The InChIKey is FEEGJZBVMVUVFT-UCBLOGBOSA-N. The full InChI is InChI=1S/C23H36F3N4O.C7H8N2.U/c1-6-13-30(14-8-9-16(3)7-2)17(4)12-15-29(5)19-11-10-18-20(23(24,25)26)22(31)28-27-21(18)19;1-6-2-3-7(4-8)5-9-6;/h4,16,19H,6-15H2,1-3,5H3,(H,28,31);2-5,8H,1H3;/q-1;;/b;8-4+;.
What are the key properties of 7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium?
7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium has a molecular weight of 799.75 g/mol, XLogP of 6.34, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methyl-[3-[4-methylhexyl(propyl)amino]but-3-enyl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;(6-methyl-3-pyridinyl)methanimine;uranium is sourced from PubChem (CID 171492959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).