3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine

C199H346N34O3S2 — CID 159121477

IUPAC3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
SMILESCC(C)CCCCn1cccc1.CC(C)CCCN1CCCCC1.CC(C)CCCc1cc[nH]c1.CC(C)CCCc1ccccn1.CC(C)CCCn1cccc1.CC(C)CCCn1cccn1.CC(C)CCN1CCCC1=O.CC(C)CCc1cnc[nH]1.CC(C)CCc1nccs1.CC(C)CCn1cccc1.CC(C)CCn1cccn1.CC(C)Cc1cccnc1.CC(C)Cc1cn(C)cn1.CC(C)Cc1nccn1C.CC1=CC(CC(C)C)=NC1.Cc1cccn1CCC(C)C.Cc1ccn(CCC(C)C)n1.Cc1conc1CC(C)C.Cc1nc(C)n(CCC(C)C)n1.Cc1nc(SCCC(C)C)n[nH]1.Cc1nccn1CCCC(C)C.Cc1noc(CC(C)C)n1
InChIInChI=1S/C11H17N.C11H19N.C11H23N.C10H18N2.3C10H17N.C9H17N3.2C9H16N2.C9H17NO.2C9H15N.C9H13N.C8H15N3S.4C8H14N2.C8H13NO.C8H13NS.C7H12N2O/c1-10(2)6-5-8-11-7-3-4-9-12-11;1-11(2)7-3-4-8-12-9-5-6-10-12;1-11(2)7-6-10-12-8-4-3-5-9-12;1-9(2)5-4-7-12-8-6-11-10(12)3;1-9(2)6-8-11-7-4-5-10(11)3;1-10(2)6-5-9-11-7-3-4-8-11;1-9(2)4-3-5-10-6-7-11-8-10;1-7(2)5-6-12-9(4)10-8(3)11-12;1-8(2)4-6-11-7-5-9(3)10-11;1-9(2)5-3-7-11-8-4-6-10-11;1-8(2)5-7-10-6-3-4-9(10)11;1-7(2)4-9-5-8(3)6-10-9;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-6(2)4-5-12-8-9-7(3)10-11-8;1-7(2)4-8-5-10(3)6-9-8;1-7(2)6-8-9-4-5-10(8)3;1-8(2)4-7-10-6-3-5-9-10;1-7(2)3-4-8-5-9-6-10-8;1-6(2)4-8-7(3)5-10-9-8;1-7(2)3-4-8-9-5-6-10-8;1-5(2)4-7-8-6(3)9-10-7/h3-4,7,9-10H,5-6,8H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3;11H,3-10H2,1-2H3;6,8-9H,4-5,7H2,1-3H3;4-5,7,9H,6,8H2,1-3H3;3-4,7-8,10H,5-6,9H2,1-2H3;6-9,11H,3-5H2,1-2H3;7H,5-6H2,1-4H3;5,7-8H,4,6H2,1-3H3;4,6,8-9H,3,5,7H2,1-2H3;8H,3-7H2,1-2H3;5,7H,4,6H2,1-3H3;3-4,6-7,9H,5,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;6H,4-5H2,1-3H3,(H,9,10,11);5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;3,5-6,8H,4,7H2,1-2H3;5-7H,3-4H2,1-2H3,(H,9,10);5-6H,4H2,1-3H3;5-7H,3-4H2,1-2H3;5H,4H2,1-3H3
InChIKeyKFSZYCVFRYDZKK-UHFFFAOYSA-N
MW3327.33 g/mol
LogP51.98
Rot. Bonds69

About 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine

3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine (PubChem CID 159121477) has the molecular formula C199H346N34O3S2 and a molecular weight of 3327.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
PubChem CID159121477
Molecular FormulaC199H346N34O3S2
Molecular Weight3327.33 g/mol
Exact Mass3324.74
IUPAC Name3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
SMILESCC(C)CCCCn1cccc1.CC(C)CCCN1CCCCC1.CC(C)CCCc1cc[nH]c1.CC(C)CCCc1ccccn1.CC(C)CCCn1cccc1.CC(C)CCCn1cccn1.CC(C)CCN1CCCC1=O.CC(C)CCc1cnc[nH]1.CC(C)CCc1nccs1.CC(C)CCn1cccc1.CC(C)CCn1cccn1.CC(C)Cc1cccnc1.CC(C)Cc1cn(C)cn1.CC(C)Cc1nccn1C.CC1=CC(CC(C)C)=NC1.Cc1cccn1CCC(C)C.Cc1ccn(CCC(C)C)n1.Cc1conc1CC(C)C.Cc1nc(C)n(CCC(C)C)n1.Cc1nc(SCCC(C)C)n[nH]1.Cc1nccn1CCCC(C)C.Cc1noc(CC(C)C)n1
InChIInChI=1S/C11H17N.C11H19N.C11H23N.C10H18N2.3C10H17N.C9H17N3.2C9H16N2.C9H17NO.2C9H15N.C9H13N.C8H15N3S.4C8H14N2.C8H13NO.C8H13NS.C7H12N2O/c1-10(2)6-5-8-11-7-3-4-9-12-11;1-11(2)7-3-4-8-12-9-5-6-10-12;1-11(2)7-6-10-12-8-4-3-5-9-12;1-9(2)5-4-7-12-8-6-11-10(12)3;1-9(2)6-8-11-7-4-5-10(11)3;1-10(2)6-5-9-11-7-3-4-8-11;1-9(2)4-3-5-10-6-7-11-8-10;1-7(2)5-6-12-9(4)10-8(3)11-12;1-8(2)4-6-11-7-5-9(3)10-11;1-9(2)5-3-7-11-8-4-6-10-11;1-8(2)5-7-10-6-3-4-9(10)11;1-7(2)4-9-5-8(3)6-10-9;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-6(2)4-5-12-8-9-7(3)10-11-8;1-7(2)4-8-5-10(3)6-9-8;1-7(2)6-8-9-4-5-10(8)3;1-8(2)4-7-10-6-3-5-9-10;1-7(2)3-4-8-5-9-6-10-8;1-6(2)4-8-7(3)5-10-9-8;1-7(2)3-4-8-9-5-6-10-8;1-5(2)4-7-8-6(3)9-10-7/h3-4,7,9-10H,5-6,8H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3;11H,3-10H2,1-2H3;6,8-9H,4-5,7H2,1-3H3;4-5,7,9H,6,8H2,1-3H3;3-4,7-8,10H,5-6,9H2,1-2H3;6-9,11H,3-5H2,1-2H3;7H,5-6H2,1-4H3;5,7-8H,4,6H2,1-3H3;4,6,8-9H,3,5,7H2,1-2H3;8H,3-7H2,1-2H3;5,7H,4,6H2,1-3H3;3-4,6-7,9H,5,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;6H,4-5H2,1-3H3,(H,9,10,11);5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;3,5-6,8H,4,7H2,1-2H3;5-7H,3-4H2,1-2H3,(H,9,10);5-6H,4H2,1-3H3;5-7H,3-4H2,1-2H3;5H,4H2,1-3H3
InChIKeyKFSZYCVFRYDZKK-UHFFFAOYSA-N
XLogP51.98
TPSA382.92 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds69
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003327.33
LogP ≤ 551.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine with MolForge

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Related Compounds

N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 118537142
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 118537225
4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136650165
3-[6-(1H-imidazol-2-yl)-5-(1H-pyrazol-3-yl)-1-quinolin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,2-oxazole
CID 141008274
3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole
CID 141028368
3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
CID 141028379
tert-butylbenzene;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157121562
cumene;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157180754
5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[2,1-b][1,3]thiazol-4-ium;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;1,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-7-ium;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 157219463
2-Tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine
CID 157258049
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 157260896
1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-(2-methylpropyl)tetrazole;1-methyl-4-(2-methylpropyl)triazole;2-(2-methylpropyl)-1,3-oxazole;3-(2-methylpropyl)-1,2-oxazole;4-(2-methylpropyl)-1,2-oxazole;4-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,2-oxazole;5-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1,2-thiazole;4-(2-methylpropyl)-1,2-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,2-thiazole;5-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1H-1,2,4-triazole
CID 157283492

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine?
The IUPAC name of 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine (CID 159121477) is 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine.
What is the SMILES notation for 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine?
The canonical SMILES for 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine is CC(C)CCCCn1cccc1.CC(C)CCCN1CCCCC1.CC(C)CCCc1cc[nH]c1.CC(C)CCCc1ccccn1.CC(C)CCCn1cccc1.CC(C)CCCn1cccn1.CC(C)CCN1CCCC1=O.CC(C)CCc1cnc[nH]1.CC(C)CCc1nccs1.CC(C)CCn1cccc1.CC(C)CCn1cccn1.CC(C)Cc1cccnc1.CC(C)Cc1cn(C)cn1.CC(C)Cc1nccn1C.CC1=CC(CC(C)C)=NC1.Cc1cccn1CCC(C)C.Cc1ccn(CCC(C)C)n1.Cc1conc1CC(C)C.Cc1nc(C)n(CCC(C)C)n1.Cc1nc(SCCC(C)C)n[nH]1.Cc1nccn1CCCC(C)C.Cc1noc(CC(C)C)n1.
What is the InChIKey of 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine?
The InChIKey is KFSZYCVFRYDZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C11H19N.C11H23N.C10H18N2.3C10H17N.C9H17N3.2C9H16N2.C9H17NO.2C9H15N.C9H13N.C8H15N3S.4C8H14N2.C8H13NO.C8H13NS.C7H12N2O/c1-10(2)6-5-8-11-7-3-4-9-12-11;1-11(2)7-3-4-8-12-9-5-6-10-12;1-11(2)7-6-10-12-8-4-3-5-9-12;1-9(2)5-4-7-12-8-6-11-10(12)3;1-9(2)6-8-11-7-4-5-10(11)3;1-10(2)6-5-9-11-7-3-4-8-11;1-9(2)4-3-5-10-6-7-11-8-10;1-7(2)5-6-12-9(4)10-8(3)11-12;1-8(2)4-6-11-7-5-9(3)10-11;1-9(2)5-3-7-11-8-4-6-10-11;1-8(2)5-7-10-6-3-4-9(10)11;1-7(2)4-9-5-8(3)6-10-9;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-6(2)4-5-12-8-9-7(3)10-11-8;1-7(2)4-8-5-10(3)6-9-8;1-7(2)6-8-9-4-5-10(8)3;1-8(2)4-7-10-6-3-5-9-10;1-7(2)3-4-8-5-9-6-10-8;1-6(2)4-8-7(3)5-10-9-8;1-7(2)3-4-8-9-5-6-10-8;1-5(2)4-7-8-6(3)9-10-7/h3-4,7,9-10H,5-6,8H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3;11H,3-10H2,1-2H3;6,8-9H,4-5,7H2,1-3H3;4-5,7,9H,6,8H2,1-3H3;3-4,7-8,10H,5-6,9H2,1-2H3;6-9,11H,3-5H2,1-2H3;7H,5-6H2,1-4H3;5,7-8H,4,6H2,1-3H3;4,6,8-9H,3,5,7H2,1-2H3;8H,3-7H2,1-2H3;5,7H,4,6H2,1-3H3;3-4,6-7,9H,5,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;6H,4-5H2,1-3H3,(H,9,10,11);5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;3,5-6,8H,4,7H2,1-2H3;5-7H,3-4H2,1-2H3,(H,9,10);5-6H,4H2,1-3H3;5-7H,3-4H2,1-2H3;5H,4H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine?
3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine has a molecular weight of 3327.33 g/mol, XLogP of 51.98, 69 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;1-(3-methylbutyl)pyrrolidin-2-one;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine is sourced from PubChem (CID 159121477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).