methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

C209H261F3N36O3S — CID 159629313

IUPACmethane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESC.C.C.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CN=N2.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2n[nH]c(C(C)C)n2)cc1
InChIInChI=1S/C12H15N3.4C12H15N.2C12H14.C11H10F3N3O.C11H13N3.C11H12N2O.2C11H14N2.2C11H13N.C10H12N4.C10H11N3O.C10H12N2.C9H11N3.C6H11N3S.3CH4/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-4(2)5-7-8-6(10)9(5)3;;;/h4-8H,1-3H3,(H,13,14,15);4*4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-6H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;2*4-8H,1-3H3;2*3-8,12H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3,(H,10,11,12);4H,1-3H3,(H,8,10);3*1H4
InChIKeyMOXJXSBHBIYJFJ-UHFFFAOYSA-N
MW3414.70 g/mol
LogP56.82
Rot. Bonds25

About methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 159629313) has the molecular formula C209H261F3N36O3S and a molecular weight of 3414.70 g/mol. Its IUPAC name is methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Namemethane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID159629313
Molecular FormulaC209H261F3N36O3S
Molecular Weight3414.70 g/mol
Exact Mass3412.11
IUPAC Namemethane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESC.C.C.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CN=N2.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2n[nH]c(C(C)C)n2)cc1
InChIInChI=1S/C12H15N3.4C12H15N.2C12H14.C11H10F3N3O.C11H13N3.C11H12N2O.2C11H14N2.2C11H13N.C10H12N4.C10H11N3O.C10H12N2.C9H11N3.C6H11N3S.3CH4/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-4(2)5-7-8-6(10)9(5)3;;;/h4-8H,1-3H3,(H,13,14,15);4*4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-6H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;2*4-8H,1-3H3;2*3-8,12H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3,(H,10,11,12);4H,1-3H3,(H,8,10);3*1H4
InChIKeyMOXJXSBHBIYJFJ-UHFFFAOYSA-N
XLogP56.82
TPSA466.98 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms252
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003414.70
LogP ≤ 556.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 159629313) is methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is C.C.C.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CN=N2.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1n[nH]c(=S)n1C.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1noc(-c2ccc(C(F)(F)F)nc2)n1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2n[nH]c(C(C)C)n2)cc1.
What is the InChIKey of methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is MOXJXSBHBIYJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.4C12H15N.2C12H14.C11H10F3N3O.C11H13N3.C11H12N2O.2C11H14N2.2C11H13N.C10H12N4.C10H11N3O.C10H12N2.C9H11N3.C6H11N3S.3CH4/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)9-16-10(18-17-9)7-3-4-8(15-5-7)11(12,13)14;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-4(2)5-7-8-6(10)9(5)3;;;/h4-8H,1-3H3,(H,13,14,15);4*4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-6H,1-2H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;2*4-8H,1-3H3;2*3-8,12H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3,(H,10,11,12);4H,1-3H3,(H,8,10);3*1H4.
What are the key properties of methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 3414.70 g/mol, XLogP of 56.82, 25 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 159629313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).