1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C185H252Cl2F2N31O5S2+ — CID 158259738

IUPAC1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)(C)C1=C2C=CC=CN2CC1.CC(C)(C)c1c(O)nc2sccn12.CC(C)(C)c1cc(=O)[nH]c2ncnn12.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1cccc(Cl)c1-n1cncn1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)nccc2s1.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1Cc2c(C(C)(C)C)nn(C)c2CC1=O.CN1Cc2ncccc2C(C(C)(C)C)C1.C[n+]1cc(C(C)(C)C)n2ncnc2c1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1
InChIInChI=1S/C18H28N2.C18H22N2.C17H22FN3.C16H22N2O.C14H17FN2.C14H20O.C13H20N2O.C13H20N2.C12H14ClN3.C12H17N.C10H11ClN2S.C10H15N4.C9H12N4O.C9H12N2OS/c2*1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-8-6-9-10(7-11(8)16)15(5)14-12(9)13(2,3)4;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-12(2,3)9-5-4-6-10(13)11(9)16-8-14-7-15-16;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-10(2,3)9-13-7-6(14-9)4-5-12-8(7)11;1-10(2,3)8-5-13(4)6-9-11-7-12-14(8)9;1-9(2,3)6-4-7(14)12-8-10-5-11-13(6)8;1-9(2,3)6-7(12)10-8-11(6)4-5-13-8/h10-11,13-14,16H,4-9,12H2,1-3H3;4-5,7,9-11,13H,6,8,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;5,10-11H,4,6-9H2,1-3H3;5-9H,1-4H3;6-8H,9H2,1-5H3;8H,6-7H2,1-5H3;5-7,11H,8-9H2,1-4H3;4-8H,1-3H3;4-6,8H,7,9H2,1-3H3;4-5H,1-3H3;5-7H,1-4H3;4-5H,1-3H3,(H,10,11,12,14);4-5,12H,1-3H3/q;;;;;;;;;;;+1;;
InChIKeyMBRWNXHPNFQVQA-UHFFFAOYSA-N
MW3163.30 g/mol
LogP41.61
Rot. Bonds6

About 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 158259738) has the molecular formula C185H252Cl2F2N31O5S2+ and a molecular weight of 3163.30 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID158259738
Molecular FormulaC185H252Cl2F2N31O5S2+
Molecular Weight3163.30 g/mol
Exact Mass3159.92
IUPAC Name1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)(C)C1=C2C=CC=CN2CC1.CC(C)(C)c1c(O)nc2sccn12.CC(C)(C)c1cc(=O)[nH]c2ncnn12.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1cccc(Cl)c1-n1cncn1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)nccc2s1.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1Cc2c(C(C)(C)C)nn(C)c2CC1=O.CN1Cc2ncccc2C(C(C)(C)C)C1.C[n+]1cc(C(C)(C)C)n2ncnc2c1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1
InChIInChI=1S/C18H28N2.C18H22N2.C17H22FN3.C16H22N2O.C14H17FN2.C14H20O.C13H20N2O.C13H20N2.C12H14ClN3.C12H17N.C10H11ClN2S.C10H15N4.C9H12N4O.C9H12N2OS/c2*1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-8-6-9-10(7-11(8)16)15(5)14-12(9)13(2,3)4;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-12(2,3)9-5-4-6-10(13)11(9)16-8-14-7-15-16;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-10(2,3)9-13-7-6(14-9)4-5-12-8(7)11;1-10(2,3)8-5-13(4)6-9-11-7-12-14(8)9;1-9(2,3)6-4-7(14)12-8-10-5-11-13(6)8;1-9(2,3)6-7(12)10-8-11(6)4-5-13-8/h10-11,13-14,16H,4-9,12H2,1-3H3;4-5,7,9-11,13H,6,8,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;5,10-11H,4,6-9H2,1-3H3;5-9H,1-4H3;6-8H,9H2,1-5H3;8H,6-7H2,1-5H3;5-7,11H,8-9H2,1-4H3;4-8H,1-3H3;4-6,8H,7,9H2,1-3H3;4-5H,1-3H3;5-7H,1-4H3;4-5H,1-3H3,(H,10,11,12,14);4-5,12H,1-3H3/q;;;;;;;;;;;+1;;
InChIKeyMBRWNXHPNFQVQA-UHFFFAOYSA-N
XLogP41.61
TPSA360.78 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds6
Heavy Atoms227
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003163.30
LogP ≤ 541.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 158259738) is 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CC(C)(C)C1=C2C=CC=CN2CC1.CC(C)(C)c1c(O)nc2sccn12.CC(C)(C)c1cc(=O)[nH]c2ncnn12.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1cccc(Cl)c1-n1cncn1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1ccnc(N2CCCc3ccccc32)c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)nccc2s1.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1Cc2c(C(C)(C)C)nn(C)c2CC1=O.CN1Cc2ncccc2C(C(C)(C)C)C1.C[n+]1cc(C(C)(C)C)n2ncnc2c1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is MBRWNXHPNFQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2.C18H22N2.C17H22FN3.C16H22N2O.C14H17FN2.C14H20O.C13H20N2O.C13H20N2.C12H14ClN3.C12H17N.C10H11ClN2S.C10H15N4.C9H12N4O.C9H12N2OS/c2*1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-8-6-9-10(7-11(8)16)15(5)14-12(9)13(2,3)4;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-12(2,3)9-5-4-6-10(13)11(9)16-8-14-7-15-16;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-10(2,3)9-13-7-6(14-9)4-5-12-8(7)11;1-10(2,3)8-5-13(4)6-9-11-7-12-14(8)9;1-9(2,3)6-4-7(14)12-8-10-5-11-13(6)8;1-9(2,3)6-7(12)10-8-11(6)4-5-13-8/h10-11,13-14,16H,4-9,12H2,1-3H3;4-5,7,9-11,13H,6,8,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;5,10-11H,4,6-9H2,1-3H3;5-9H,1-4H3;6-8H,9H2,1-5H3;8H,6-7H2,1-5H3;5-7,11H,8-9H2,1-4H3;4-8H,1-3H3;4-6,8H,7,9H2,1-3H3;4-5H,1-3H3;5-7H,1-4H3;4-5H,1-3H3,(H,10,11,12,14);4-5,12H,1-3H3/q;;;;;;;;;;;+1;;.
What are the key properties of 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 3163.30 g/mol, XLogP of 41.61, 6 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-tert-butyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrazin-7-ium;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 158259738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).