3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene

C161H160N28O6 — CID 158032179

IUPAC3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene
SMILESCc1[nH]nc2ccccc12.Cc1cc(C)c2[nH]ncc2c1.Cc1cc2cn[nH]c2cc1C.Cc1ccc2[nH]c(=O)[nH]c2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)CC(=O)N2.Cc1ccc2c(c1)OCO2.Cc1ccc2cc[nH]c2c1.Cc1ccc2n[nH]c(C)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2oncc2c1.Cc1cccc(-c2ccccn2)c1.Cc1cccc(-c2cccnc2)c1.Cc1cccc(-c2ccn[nH]2)c1.Cc1cccc(-c2cnco2)c1.Cc1cccc(-c2nn[nH]n2)c1.Cc1ccccc1.Cc1cncc2ccccc12
InChIInChI=1S/2C12H11N.C10H10N2.C10H9NO.C10H9N.3C9H10N2.C9H9NO.C9H9N.C8H8N4.C8H8N2O.2C8H8N2.C8H7NO.C8H8O2.C7H7N3.C7H8/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-8-3-2-4-9(7-8)10-5-6-11-12-10;1-8-3-2-4-9(5-8)10-6-11-7-12-10;1-8-6-11-7-9-4-2-3-5-10(8)9;1-6-3-8-5-10-11-9(8)4-7(6)2;1-6-3-7(2)9-8(4-6)5-10-11-9;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-2-3-8-7(4-6)5-9(11)10-8;1-7-2-3-8-4-5-10-9(8)6-7;1-6-3-2-4-7(5-6)8-9-11-12-10-8;1-5-2-3-6-7(4-5)10-8(11)9-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-7-4-2-3-5-8(7)10-9-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-5-2-3-6-7(4-5)9-10-8-6;1-7-5-3-2-4-6-7/h2*2-9H,1H3;2-7H,1H3,(H,11,12);2-7H,1H3;2-7H,1H3;3*3-5H,1-2H3,(H,10,11);2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-5H,1H3,(H,9,10,11,12);2-4H,1H3,(H2,9,10,11);2*2-5H,1H3,(H,9,10);2-5H,1H3;2-4H,5H2,1H3;2-4H,1H3,(H,8,9,10);2-6H,1H3
InChIKeyFHHSPBMAGWRTRJ-UHFFFAOYSA-N
MW2583.24 g/mol
LogP37.40
Rot. Bonds5

About 3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene

3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene (PubChem CID 158032179) has the molecular formula C161H160N28O6 and a molecular weight of 2583.24 g/mol. Its IUPAC name is 3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene.

Molecular Properties

Compound Name3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene
PubChem CID158032179
Molecular FormulaC161H160N28O6
Molecular Weight2583.24 g/mol
Exact Mass2581.31
IUPAC Name3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene
SMILESCc1[nH]nc2ccccc12.Cc1cc(C)c2[nH]ncc2c1.Cc1cc2cn[nH]c2cc1C.Cc1ccc2[nH]c(=O)[nH]c2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)CC(=O)N2.Cc1ccc2c(c1)OCO2.Cc1ccc2cc[nH]c2c1.Cc1ccc2n[nH]c(C)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2oncc2c1.Cc1cccc(-c2ccccn2)c1.Cc1cccc(-c2cccnc2)c1.Cc1cccc(-c2ccn[nH]2)c1.Cc1cccc(-c2cnco2)c1.Cc1cccc(-c2nn[nH]n2)c1.Cc1ccccc1.Cc1cncc2ccccc12
InChIInChI=1S/2C12H11N.C10H10N2.C10H9NO.C10H9N.3C9H10N2.C9H9NO.C9H9N.C8H8N4.C8H8N2O.2C8H8N2.C8H7NO.C8H8O2.C7H7N3.C7H8/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-8-3-2-4-9(7-8)10-5-6-11-12-10;1-8-3-2-4-9(5-8)10-6-11-7-12-10;1-8-6-11-7-9-4-2-3-5-10(8)9;1-6-3-8-5-10-11-9(8)4-7(6)2;1-6-3-7(2)9-8(4-6)5-10-11-9;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-2-3-8-7(4-6)5-9(11)10-8;1-7-2-3-8-4-5-10-9(8)6-7;1-6-3-2-4-7(5-6)8-9-11-12-10-8;1-5-2-3-6-7(4-5)10-8(11)9-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-7-4-2-3-5-8(7)10-9-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-5-2-3-6-7(4-5)9-10-8-6;1-7-5-3-2-4-6-7/h2*2-9H,1H3;2-7H,1H3,(H,11,12);2-7H,1H3;2-7H,1H3;3*3-5H,1-2H3,(H,10,11);2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-5H,1H3,(H,9,10,11,12);2-4H,1H3,(H2,9,10,11);2*2-5H,1H3,(H,9,10);2-5H,1H3;2-4H,5H2,1H3;2-4H,1H3,(H,8,9,10);2-6H,1H3
InChIKeyFHHSPBMAGWRTRJ-UHFFFAOYSA-N
XLogP37.40
TPSA470.84 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds5
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002583.24
LogP ≤ 537.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze 3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene with MolForge

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Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
CID 157427896
1,3-benzodioxole;1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;hexadecakis(2-methylpropane);1-phenylimidazole;2-phenyl-1,3,4-oxadiazole;2-phenyl-1,3-oxazole;5-phenyl-1,2-oxazole;1-phenylpyrazole;5-phenyl-1H-pyrazole;2-phenylpyrimidine;2-phenyltriazole;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 157152490
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157277947
1,6-dimethylbenzimidazole;2,5-dimethyl-3,4-dihydro-1H-isoquinoline;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;6-methyl-1H-benzimidazol-2-amine;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indole;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;5-methyl-2,3-dihydro-1H-isoindole;6-methylimidazo[1,2-a]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-1H-pyrimidine-2,4-dione;6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 157383618
CID 157461780
CID 157461780
1,3-benzodioxole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;henicosakis(2-methylpropane);1-phenylimidazole;4-phenylmorpholine;2-phenyl-1,3,4-oxadiazole;2-phenyl-1,3-oxazole;5-phenyl-1,2-oxazole;1-phenylpiperazine;1-phenylpiperidine;1-phenylpyrazole;5-phenyl-1H-pyrazole;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;2-phenylpyrimidine;2-phenyltriazole;2-pyridin-3-ylpyrimidine;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 157937048
ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-2-benzofuran-1-one;5-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
CID 157990219
Tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,2-benzoxazole;6-tert-butylcinnoline;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;7-tert-butylquinazoline
CID 158035897
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene
CID 158082532
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene
CID 158144559
4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2H-indazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine
CID 158154147
3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,2-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;6-tert-butyl-1H-indazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;1-(2,2-dimethylpropyl)indazole
CID 158158542

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene?
The IUPAC name of 3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene (CID 158032179) is 3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene.
What is the SMILES notation for 3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene?
The canonical SMILES for 3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene is Cc1[nH]nc2ccccc12.Cc1cc(C)c2[nH]ncc2c1.Cc1cc2cn[nH]c2cc1C.Cc1ccc2[nH]c(=O)[nH]c2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)CC(=O)N2.Cc1ccc2c(c1)OCO2.Cc1ccc2cc[nH]c2c1.Cc1ccc2n[nH]c(C)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2oncc2c1.Cc1cccc(-c2ccccn2)c1.Cc1cccc(-c2cccnc2)c1.Cc1cccc(-c2ccn[nH]2)c1.Cc1cccc(-c2cnco2)c1.Cc1cccc(-c2nn[nH]n2)c1.Cc1ccccc1.Cc1cncc2ccccc12.
What is the InChIKey of 3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene?
The InChIKey is FHHSPBMAGWRTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11N.C10H10N2.C10H9NO.C10H9N.3C9H10N2.C9H9NO.C9H9N.C8H8N4.C8H8N2O.2C8H8N2.C8H7NO.C8H8O2.C7H7N3.C7H8/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12;1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;1-8-3-2-4-9(7-8)10-5-6-11-12-10;1-8-3-2-4-9(5-8)10-6-11-7-12-10;1-8-6-11-7-9-4-2-3-5-10(8)9;1-6-3-8-5-10-11-9(8)4-7(6)2;1-6-3-7(2)9-8(4-6)5-10-11-9;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-2-3-8-7(4-6)5-9(11)10-8;1-7-2-3-8-4-5-10-9(8)6-7;1-6-3-2-4-7(5-6)8-9-11-12-10-8;1-5-2-3-6-7(4-5)10-8(11)9-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-7-4-2-3-5-8(7)10-9-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-5-2-3-6-7(4-5)9-10-8-6;1-7-5-3-2-4-6-7/h2*2-9H,1H3;2-7H,1H3,(H,11,12);2-7H,1H3;2-7H,1H3;3*3-5H,1-2H3,(H,10,11);2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-5H,1H3,(H,9,10,11,12);2-4H,1H3,(H2,9,10,11);2*2-5H,1H3,(H,9,10);2-5H,1H3;2-4H,5H2,1H3;2-4H,1H3,(H,8,9,10);2-6H,1H3.
What are the key properties of 3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene?
3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene has a molecular weight of 2583.24 g/mol, XLogP of 37.40, 5 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene is sourced from PubChem (CID 158032179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).