amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium

C19H26N6O3S — CID 175795548

IUPACamino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium
SMILESCC(CC(C)(C)[S+](N)[O-])c1cn2nc(C3CC3)cc(N3CC(=O)N(C)C3=O)c2n1
InChIInChI=1S/C19H26N6O3S/c1-11(8-19(2,3)29(20)28)14-9-25-17(21-14)15(7-13(22-25)12-5-6-12)24-10-16(26)23(4)18(24)27/h7,9,11-12H,5-6,8,10,20H2,1-4H3
InChIKeyRLNZQXHABWKLTF-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.90
Rot. Bonds6

About amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium

amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium (PubChem CID 175795548) has the molecular formula C19H26N6O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium.

Molecular Properties

Compound Nameamino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium
PubChem CID175795548
Molecular FormulaC19H26N6O3S
Molecular Weight418.52 g/mol
Exact Mass418.18
IUPAC Nameamino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium
SMILESCC(CC(C)(C)[S+](N)[O-])c1cn2nc(C3CC3)cc(N3CC(=O)N(C)C3=O)c2n1
InChIInChI=1S/C19H26N6O3S/c1-11(8-19(2,3)29(20)28)14-9-25-17(21-14)15(7-13(22-25)12-5-6-12)24-10-16(26)23(4)18(24)27/h7,9,11-12H,5-6,8,10,20H2,1-4H3
InChIKeyRLNZQXHABWKLTF-UHFFFAOYSA-N
XLogP1.90
TPSA119.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium?
The IUPAC name of amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium (CID 175795548) is amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium.
What is the SMILES notation for amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium?
The canonical SMILES for amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium is CC(CC(C)(C)[S+](N)[O-])c1cn2nc(C3CC3)cc(N3CC(=O)N(C)C3=O)c2n1.
What is the InChIKey of amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium?
The InChIKey is RLNZQXHABWKLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3S/c1-11(8-19(2,3)29(20)28)14-9-25-17(21-14)15(7-13(22-25)12-5-6-12)24-10-16(26)23(4)18(24)27/h7,9,11-12H,5-6,8,10,20H2,1-4H3.
What are the key properties of amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium?
amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium has a molecular weight of 418.52 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-2-methylpentan-2-yl]-oxidosulfanium is sourced from PubChem (CID 175795548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).