sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate

C52H57Br3ClN20NaO5 — CID 162077433

IUPACsodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate
SMILESC.C.C.CC(c1ccc(N)nn1)c1nnc2ccc(Br)cn12.CC(c1ccc2nc(N)cn2n1)c1nnc2ccc(Br)cn12.CC(c1ccc2nc(NC(=O)C3CC3)cn2n1)c1nnc2ccc(Br)cn12.O=C(Cl)C1CC1.O=CO[O-].[Na+]
InChIInChI=1S/C18H16BrN7O.C14H12BrN7.C12H11BrN6.C4H5ClO.CH2O3.3CH4.Na/c1-10(17-23-22-16-6-4-12(19)8-25(16)17)13-5-7-15-20-14(9-26(15)24-13)21-18(27)11-2-3-11;1-8(10-3-5-12-17-11(16)7-22(12)20-10)14-19-18-13-4-2-9(15)6-21(13)14;1-7(9-3-4-10(14)16-15-9)12-18-17-11-5-2-8(13)6-19(11)12;5-4(6)3-1-2-3;2-1-4-3;;;;/h4-11H,2-3H2,1H3,(H,21,27);2-8H,16H2,1H3;2-7H,1H3,(H2,14,16);3H,1-2H2;1,3H;3*1H4;/q;;;;;;;;+1/p-1
InChIKeyZBWTVAQVHDCLCR-UHFFFAOYSA-M
MW1340.32 g/mol
LogP5.83
Rot. Bonds10

About sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate

sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate (PubChem CID 162077433) has the molecular formula C52H57Br3ClN20NaO5 and a molecular weight of 1340.32 g/mol. Its IUPAC name is sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate.

Molecular Properties

Compound Namesodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate
PubChem CID162077433
Molecular FormulaC52H57Br3ClN20NaO5
Molecular Weight1340.32 g/mol
Exact Mass1336.20
IUPAC Namesodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate
SMILESC.C.C.CC(c1ccc(N)nn1)c1nnc2ccc(Br)cn12.CC(c1ccc2nc(N)cn2n1)c1nnc2ccc(Br)cn12.CC(c1ccc2nc(NC(=O)C3CC3)cn2n1)c1nnc2ccc(Br)cn12.O=C(Cl)C1CC1.O=CO[O-].[Na+]
InChIInChI=1S/C18H16BrN7O.C14H12BrN7.C12H11BrN6.C4H5ClO.CH2O3.3CH4.Na/c1-10(17-23-22-16-6-4-12(19)8-25(16)17)13-5-7-15-20-14(9-26(15)24-13)21-18(27)11-2-3-11;1-8(10-3-5-12-17-11(16)7-22(12)20-10)14-19-18-13-4-2-9(15)6-21(13)14;1-7(9-3-4-10(14)16-15-9)12-18-17-11-5-2-8(13)6-19(11)12;5-4(6)3-1-2-3;2-1-4-3;;;;/h4-11H,2-3H2,1H3,(H,21,27);2-8H,16H2,1H3;2-7H,1H3,(H2,14,16);3H,1-2H2;1,3H;3*1H4;/q;;;;;;;;+1/p-1
InChIKeyZBWTVAQVHDCLCR-UHFFFAOYSA-M
XLogP5.83
TPSA324.30 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001340.32
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate?
The IUPAC name of sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate (CID 162077433) is sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate.
What is the SMILES notation for sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate?
The canonical SMILES for sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate is C.C.C.CC(c1ccc(N)nn1)c1nnc2ccc(Br)cn12.CC(c1ccc2nc(N)cn2n1)c1nnc2ccc(Br)cn12.CC(c1ccc2nc(NC(=O)C3CC3)cn2n1)c1nnc2ccc(Br)cn12.O=C(Cl)C1CC1.O=CO[O-].[Na+].
What is the InChIKey of sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate?
The InChIKey is ZBWTVAQVHDCLCR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16BrN7O.C14H12BrN7.C12H11BrN6.C4H5ClO.CH2O3.3CH4.Na/c1-10(17-23-22-16-6-4-12(19)8-25(16)17)13-5-7-15-20-14(9-26(15)24-13)21-18(27)11-2-3-11;1-8(10-3-5-12-17-11(16)7-22(12)20-10)14-19-18-13-4-2-9(15)6-21(13)14;1-7(9-3-4-10(14)16-15-9)12-18-17-11-5-2-8(13)6-19(11)12;5-4(6)3-1-2-3;2-1-4-3;;;;/h4-11H,2-3H2,1H3,(H,21,27);2-8H,16H2,1H3;2-7H,1H3,(H2,14,16);3H,1-2H2;1,3H;3*1H4;/q;;;;;;;;+1/p-1.
What are the key properties of sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate?
sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate has a molecular weight of 1340.32 g/mol, XLogP of 5.83, 10 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;6-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridazin-3-amine;cyclopropanecarbonyl chloride;methane;oxido formate is sourced from PubChem (CID 162077433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).