magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride

C108H159BrCl3F2KMgN18O30S2 — CID 167589409

IUPACmagnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride
SMILESC.C1CCOC1.CC1CCC(=O)CC1.CC1CCC(C)(O)CC1.CC1CCC(C)(O)CC1.CC1CCC2(CC1)OCCO2.CN(C)c1cc2[nH]ncc2cc1N.CN(C)c1cc2[nH]ncc2cc1[N+](=O)[O-].CNC.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1cccc(C(=O)O)[n+]1[O-].Cc1cccc(C(=O)O)[n+]1[O-].Cc1cccc(C(=O)O)n1.Cl.Cl.Fc1ccc2cn[nH]c2c1.O=NO[O-].O=S(=O)(O)O.O=[N+]([O-])c1cc2cn[nH]c2cc1F.OC1CCC2(CC1)OCCO2.[Br-].[CH3-].[K+].[Mg+2]
InChIInChI=1S/C9H10N4O2.C9H12N4.C9H16O2.C8H14O3.2C8H16O.C7H7ClO2S.C7H4FN3O2.C7H5FN2.2C7H7NO3.C7H7NO2.C7H12O.C4H8O.C2H7N.CH4.CH3.BrH.2ClH.K.Mg.HNO3.H2O4S/c1-12(2)8-4-7-6(5-10-11-7)3-9(8)13(14)15;1-13(2)9-4-8-6(3-7(9)10)5-11-12-8;1-8-2-4-9(5-3-8)10-6-7-11-9;9-7-1-3-8(4-2-7)10-5-6-11-8;2*1-7-3-5-8(2,9)6-4-7;1-6-2-4-7(5-3-6)11(8,9)10;8-5-2-6-4(3-9-10-6)1-7(5)11(12)13;8-6-2-1-5-4-9-10-7(5)3-6;2*1-5-3-2-4-6(7(9)10)8(5)11;1-5-3-2-4-6(8-5)7(9)10;1-6-2-4-7(8)5-3-6;1-2-4-5-3-1;1-3-2;;;;;;;;2-1-4-3;1-5(2,3)4/h3-5H,1-2H3,(H,10,11);3-5H,10H2,1-2H3,(H,11,12);8H,2-7H2,1H3;7,9H,1-6H2;2*7,9H,3-6H2,1-2H3;2-5H,1H3;1-3H,(H,9,10);1-4H,(H,9,10);2*2-4H,1H3,(H,9,10);2-4H,1H3,(H,9,10);6H,2-5H2,1H3;1-4H2;3H,1-2H3;1H4;1H3;3*1H;;;3H;(H2,1,2,3,4)/q;;;;;;;;;;;;;;;;-1;;;;+1;+2;;/p-2
InChIKeyIENRWVUJMBBXEQ-UHFFFAOYSA-L
MW2541.35 g/mol
LogP12.49
Rot. Bonds9

About magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride

magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride (PubChem CID 167589409) has the molecular formula C108H159BrCl3F2KMgN18O30S2 and a molecular weight of 2541.35 g/mol. Its IUPAC name is magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride.

Molecular Properties

Compound Namemagnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride
PubChem CID167589409
Molecular FormulaC108H159BrCl3F2KMgN18O30S2
Molecular Weight2541.35 g/mol
Exact Mass2536.86
IUPAC Namemagnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride
SMILESC.C1CCOC1.CC1CCC(=O)CC1.CC1CCC(C)(O)CC1.CC1CCC(C)(O)CC1.CC1CCC2(CC1)OCCO2.CN(C)c1cc2[nH]ncc2cc1N.CN(C)c1cc2[nH]ncc2cc1[N+](=O)[O-].CNC.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1cccc(C(=O)O)[n+]1[O-].Cc1cccc(C(=O)O)[n+]1[O-].Cc1cccc(C(=O)O)n1.Cl.Cl.Fc1ccc2cn[nH]c2c1.O=NO[O-].O=S(=O)(O)O.O=[N+]([O-])c1cc2cn[nH]c2cc1F.OC1CCC2(CC1)OCCO2.[Br-].[CH3-].[K+].[Mg+2]
InChIInChI=1S/C9H10N4O2.C9H12N4.C9H16O2.C8H14O3.2C8H16O.C7H7ClO2S.C7H4FN3O2.C7H5FN2.2C7H7NO3.C7H7NO2.C7H12O.C4H8O.C2H7N.CH4.CH3.BrH.2ClH.K.Mg.HNO3.H2O4S/c1-12(2)8-4-7-6(5-10-11-7)3-9(8)13(14)15;1-13(2)9-4-8-6(3-7(9)10)5-11-12-8;1-8-2-4-9(5-3-8)10-6-7-11-9;9-7-1-3-8(4-2-7)10-5-6-11-8;2*1-7-3-5-8(2,9)6-4-7;1-6-2-4-7(5-3-6)11(8,9)10;8-5-2-6-4(3-9-10-6)1-7(5)11(12)13;8-6-2-1-5-4-9-10-7(5)3-6;2*1-5-3-2-4-6(7(9)10)8(5)11;1-5-3-2-4-6(8-5)7(9)10;1-6-2-4-7(8)5-3-6;1-2-4-5-3-1;1-3-2;;;;;;;;2-1-4-3;1-5(2,3)4/h3-5H,1-2H3,(H,10,11);3-5H,10H2,1-2H3,(H,11,12);8H,2-7H2,1H3;7,9H,1-6H2;2*7,9H,3-6H2,1-2H3;2-5H,1H3;1-3H,(H,9,10);1-4H,(H,9,10);2*2-4H,1H3,(H,9,10);2-4H,1H3,(H,9,10);6H,2-5H2,1H3;1-4H2;3H,1-2H3;1H4;1H3;3*1H;;;3H;(H2,1,2,3,4)/q;;;;;;;;;;;;;;;;-1;;;;+1;+2;;/p-2
InChIKeyIENRWVUJMBBXEQ-UHFFFAOYSA-L
XLogP12.49
TPSA718.57 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds9
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002541.35
LogP ≤ 512.49
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride with MolForge

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Related Compounds

magnesium;carbanide;N-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-6-pyrazol-1-ylindazol-5-yl]-6-methylpyridine-2-carboxamide;6-fluoro-5-nitro-1H-indazole;N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;8-methyl-1,4-dioxaspiro[4.5]decane;6-methyl-N-[2-(4-oxocyclohexyl)-6-pyrazol-1-ylindazol-5-yl]pyridine-2-carboxamide;6-methyl-N-(6-pyrazol-1-yl-1H-indazol-5-yl)pyridine-2-carboxamide;5-nitro-6-pyrazol-1-yl-1H-indazole;1H-pyrazole;6-pyrazol-1-yl-1H-indazol-5-amine;6-(trifluoromethyl)pyridine-2-carboxylic acid;bromide;hydrochloride
CID 165046683
magnesium;carbanide;deuterio(fluoro)methane;bis(6-(1,1-difluoroethyl)-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide);bis(6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide);bis(1,4-dimethylcyclohexan-1-ol);1,4-dioxaspiro[4.5]decan-8-ol;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;bromide;hydrochloride
CID 165065342

Frequently Asked Questions

What is the IUPAC name of magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride?
The IUPAC name of magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride (CID 167589409) is magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride.
What is the SMILES notation for magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride?
The canonical SMILES for magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride is C.C1CCOC1.CC1CCC(=O)CC1.CC1CCC(C)(O)CC1.CC1CCC(C)(O)CC1.CC1CCC2(CC1)OCCO2.CN(C)c1cc2[nH]ncc2cc1N.CN(C)c1cc2[nH]ncc2cc1[N+](=O)[O-].CNC.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1cccc(C(=O)O)[n+]1[O-].Cc1cccc(C(=O)O)[n+]1[O-].Cc1cccc(C(=O)O)n1.Cl.Cl.Fc1ccc2cn[nH]c2c1.O=NO[O-].O=S(=O)(O)O.O=[N+]([O-])c1cc2cn[nH]c2cc1F.OC1CCC2(CC1)OCCO2.[Br-].[CH3-].[K+].[Mg+2].
What is the InChIKey of magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride?
The InChIKey is IENRWVUJMBBXEQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H10N4O2.C9H12N4.C9H16O2.C8H14O3.2C8H16O.C7H7ClO2S.C7H4FN3O2.C7H5FN2.2C7H7NO3.C7H7NO2.C7H12O.C4H8O.C2H7N.CH4.CH3.BrH.2ClH.K.Mg.HNO3.H2O4S/c1-12(2)8-4-7-6(5-10-11-7)3-9(8)13(14)15;1-13(2)9-4-8-6(3-7(9)10)5-11-12-8;1-8-2-4-9(5-3-8)10-6-7-11-9;9-7-1-3-8(4-2-7)10-5-6-11-8;2*1-7-3-5-8(2,9)6-4-7;1-6-2-4-7(5-3-6)11(8,9)10;8-5-2-6-4(3-9-10-6)1-7(5)11(12)13;8-6-2-1-5-4-9-10-7(5)3-6;2*1-5-3-2-4-6(7(9)10)8(5)11;1-5-3-2-4-6(8-5)7(9)10;1-6-2-4-7(8)5-3-6;1-2-4-5-3-1;1-3-2;;;;;;;;2-1-4-3;1-5(2,3)4/h3-5H,1-2H3,(H,10,11);3-5H,10H2,1-2H3,(H,11,12);8H,2-7H2,1H3;7,9H,1-6H2;2*7,9H,3-6H2,1-2H3;2-5H,1H3;1-3H,(H,9,10);1-4H,(H,9,10);2*2-4H,1H3,(H,9,10);2-4H,1H3,(H,9,10);6H,2-5H2,1H3;1-4H2;3H,1-2H3;1H4;1H3;3*1H;;;3H;(H2,1,2,3,4)/q;;;;;;;;;;;;;;;;-1;;;;+1;+2;;/p-2.
What are the key properties of magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride?
magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride has a molecular weight of 2541.35 g/mol, XLogP of 12.49, 9 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;potassium;carbanide;bis(1,4-dimethylcyclohexan-1-ol);6-N,6-N-dimethyl-1H-indazole-5,6-diamine;N,N-dimethyl-5-nitro-1H-indazol-6-amine;1,4-dioxaspiro[4.5]decan-8-ol;6-fluoro-1H-indazole;6-fluoro-5-nitro-1H-indazole;methane;4-methylbenzenesulfonyl chloride;4-methylcyclohexan-1-one;8-methyl-1,4-dioxaspiro[4.5]decane;N-methylmethanamine;bis(6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid);6-methylpyridine-2-carboxylic acid;oxido nitrite;oxolane;sulfuric acid;bromide;dihydrochloride is sourced from PubChem (CID 167589409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).