hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole

C237H341Cl3N36O29S2 — CID 176524951

IUPAChexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole
SMILESCC(=O)N1CCCC1C(C)C.CC(C)C1(C)COC1.CC(C)C1=NC2C=CC=CC2O1.CC(C)C1CC(O)CN1.CC(C)C1CCCS1(=O)=O.CC(C)C1COC1.CC(C)C1NCCC1O.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc(Cl)nn1.CC(C)c1ccc2nccn2n1.CC(C)c1ccccc1C(=O)O.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.COc1ccc(C(C)C)c(C(=O)O)c1.COc1ccc(C(C)C)c(C(=O)O)c1.COc1ccc(C(C)C)nn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc2ccc(Cl)nn2c1C(C)C.Cc1ccc(C(C)C)nn1.Cc1nc2ccc(Cl)nn2c1C(C)C.Cc1nnsc1C(C)C.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C11H13ClN2.C11H13N.2C11H14O3.C10H12ClN3.C10H13NO.C10H12O2.C9H11N3.C9H17NO.2C9H13N.C8H12N2O.C8H12N2.4C8H11N.C7H9ClN2.3C7H10N2.2C7H15NO.C7H14O2S.C7H14O.C6H10N2S.C6H12O.C5H9N3.6CO2/c1-7(2)11-8(3)6-9-4-5-10(12)13-14(9)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;2*1-7(2)9-5-4-8(14-3)6-10(9)11(12)13;1-6(2)10-7(3)12-9-5-4-8(11)13-14(9)10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-7(2)9-5-4-6-10(9)8(3)11;2*1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-4-5-8(11-3)10-9-7;1-6(2)8-5-4-7(3)9-10-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-3-6(9)4-8-7;1-5(2)7-6(9)3-4-8-7;1-6(2)7-4-3-5-10(7,8)9;1-6(2)7(3)4-8-5-7;1-4(2)6-5(3)7-8-9-6;1-5(2)6-3-7-4-6;1-4(2)5-3-6-8-7-5;6*2-1-3/h4-7H,1-3H3;3-8,12H,1-2H3;2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3;3-9H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;7,9H,4-6H2,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4*3-7H,1-2H3;3-5H,1-2H3;3*3-6H,1-2H3;2*5-9H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6H,4-5H2,1-3H3;4H,1-3H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3,(H,6,7,8);;;;;;
InChIKeyHGORZLQVJDBADQ-UHFFFAOYSA-N
MW4329.05 g/mol
LogP51.24
Rot. Bonds34

About hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole

hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole (PubChem CID 176524951) has the molecular formula C237H341Cl3N36O29S2 and a molecular weight of 4329.05 g/mol. Its IUPAC name is hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole.

Molecular Properties

Compound Namehexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole
PubChem CID176524951
Molecular FormulaC237H341Cl3N36O29S2
Molecular Weight4329.05 g/mol
Exact Mass4324.48
IUPAC Namehexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole
SMILESCC(=O)N1CCCC1C(C)C.CC(C)C1(C)COC1.CC(C)C1=NC2C=CC=CC2O1.CC(C)C1CC(O)CN1.CC(C)C1CCCS1(=O)=O.CC(C)C1COC1.CC(C)C1NCCC1O.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc(Cl)nn1.CC(C)c1ccc2nccn2n1.CC(C)c1ccccc1C(=O)O.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.COc1ccc(C(C)C)c(C(=O)O)c1.COc1ccc(C(C)C)c(C(=O)O)c1.COc1ccc(C(C)C)nn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc2ccc(Cl)nn2c1C(C)C.Cc1ccc(C(C)C)nn1.Cc1nc2ccc(Cl)nn2c1C(C)C.Cc1nnsc1C(C)C.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C11H13ClN2.C11H13N.2C11H14O3.C10H12ClN3.C10H13NO.C10H12O2.C9H11N3.C9H17NO.2C9H13N.C8H12N2O.C8H12N2.4C8H11N.C7H9ClN2.3C7H10N2.2C7H15NO.C7H14O2S.C7H14O.C6H10N2S.C6H12O.C5H9N3.6CO2/c1-7(2)11-8(3)6-9-4-5-10(12)13-14(9)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;2*1-7(2)9-5-4-8(14-3)6-10(9)11(12)13;1-6(2)10-7(3)12-9-5-4-8(11)13-14(9)10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-7(2)9-5-4-6-10(9)8(3)11;2*1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-4-5-8(11-3)10-9-7;1-6(2)8-5-4-7(3)9-10-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-3-6(9)4-8-7;1-5(2)7-6(9)3-4-8-7;1-6(2)7-4-3-5-10(7,8)9;1-6(2)7(3)4-8-5-7;1-4(2)6-5(3)7-8-9-6;1-5(2)6-3-7-4-6;1-4(2)5-3-6-8-7-5;6*2-1-3/h4-7H,1-3H3;3-8,12H,1-2H3;2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3;3-9H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;7,9H,4-6H2,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4*3-7H,1-2H3;3-5H,1-2H3;3*3-6H,1-2H3;2*5-9H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6H,4-5H2,1-3H3;4H,1-3H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3,(H,6,7,8);;;;;;
InChIKeyHGORZLQVJDBADQ-UHFFFAOYSA-N
XLogP51.24
TPSA896.29 Ų
H-Bond Donors9
H-Bond Acceptors60
Rotatable Bonds34
Heavy Atoms307
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004329.05
LogP ≤ 551.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1060

Analyze hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole with MolForge

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Related Compounds

6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1H-benzimidazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzothiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole
CID 157177784
hexakis(carbon dioxide);5-chloro-2-propan-2-ylbenzoic acid;5-fluoro-2-propan-2-ylbenzoic acid;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methyl-3-propan-2-yloxetane;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;5-methylsulfonyl-2-propan-2-ylbenzoic acid;2-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide
CID 161500612
6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;5-imidazol-1-yl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;3-methoxy-6-propan-2-ylpyridazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1H-benzimidazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzothiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-yl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine;4-(2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)morpholine;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;4-propan-2-yl-2H-triazole
CID 176529756
6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;5-imidazol-1-yl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1H-benzimidazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzothiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-yl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine;4-(2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)morpholine;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole
CID 176532967
CID 176535382
CID 176535382
pentakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole
CID 176547194

Frequently Asked Questions

What is the IUPAC name of hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole?
The IUPAC name of hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole (CID 176524951) is hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole.
What is the SMILES notation for hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole?
The canonical SMILES for hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole is CC(=O)N1CCCC1C(C)C.CC(C)C1(C)COC1.CC(C)C1=NC2C=CC=CC2O1.CC(C)C1CC(O)CN1.CC(C)C1CCCS1(=O)=O.CC(C)C1COC1.CC(C)C1NCCC1O.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc(Cl)nn1.CC(C)c1ccc2nccn2n1.CC(C)c1ccccc1C(=O)O.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1cn[nH]n1.CC(C)c1cnccn1.COc1ccc(C(C)C)c(C(=O)O)c1.COc1ccc(C(C)C)c(C(=O)O)c1.COc1ccc(C(C)C)nn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc2ccc(Cl)nn2c1C(C)C.Cc1ccc(C(C)C)nn1.Cc1nc2ccc(Cl)nn2c1C(C)C.Cc1nnsc1C(C)C.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole?
The InChIKey is HGORZLQVJDBADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2.C11H13N.2C11H14O3.C10H12ClN3.C10H13NO.C10H12O2.C9H11N3.C9H17NO.2C9H13N.C8H12N2O.C8H12N2.4C8H11N.C7H9ClN2.3C7H10N2.2C7H15NO.C7H14O2S.C7H14O.C6H10N2S.C6H12O.C5H9N3.6CO2/c1-7(2)11-8(3)6-9-4-5-10(12)13-14(9)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;2*1-7(2)9-5-4-8(14-3)6-10(9)11(12)13;1-6(2)10-7(3)12-9-5-4-8(11)13-14(9)10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-7(2)9-5-4-6-10(9)8(3)11;2*1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-4-5-8(11-3)10-9-7;1-6(2)8-5-4-7(3)9-10-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-3-6(9)4-8-7;1-5(2)7-6(9)3-4-8-7;1-6(2)7-4-3-5-10(7,8)9;1-6(2)7(3)4-8-5-7;1-4(2)6-5(3)7-8-9-6;1-5(2)6-3-7-4-6;1-4(2)5-3-6-8-7-5;6*2-1-3/h4-7H,1-3H3;3-8,12H,1-2H3;2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3;3-9H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;7,9H,4-6H2,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4*3-7H,1-2H3;3-5H,1-2H3;3*3-6H,1-2H3;2*5-9H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6H,4-5H2,1-3H3;4H,1-3H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3,(H,6,7,8);;;;;;.
What are the key properties of hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole?
hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole has a molecular weight of 4329.05 g/mol, XLogP of 51.24, 34 rotatable bonds, 9 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(carbon dioxide);6-chloro-2-methyl-3-propan-2-ylimidazo[1,2-b]pyridazine;2-chloro-6-methyl-7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-chloro-6-propan-2-ylpyridazine;bis(5-methoxy-2-propan-2-ylbenzoic acid);3-methoxy-6-propan-2-ylpyridazine;3-methyl-3-propan-2-yloxetane;3-methyl-6-propan-2-ylpyridazine;bis(2-methyl-4-propan-2-ylpyridine);4-methyl-5-propan-2-ylthiadiazole;2-propan-2-yl-3a,7a-dihydro-1,3-benzoxazole;2-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-1H-indole;3-propan-2-yloxetane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrrolidin-3-ol;5-propan-2-ylpyrrolidin-3-ol;1-(2-propan-2-ylpyrrolidin-1-yl)ethanone;2-propan-2-ylthiolane 1,1-dioxide;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 176524951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).