2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole

C159H254FN47O — CID 158251384

IUPAC2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncncn1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.Cn1cccn1.Cn1ncc(C(C)(C)C)n1
InChIInChI=1S/3C9H13N.C8H11FN2.6C8H12N2.C8H13N.C7H11N3.C7H13N3.2C7H12N2.C7H11NO.4C6H11N3.C5H10N4.C4H6N2/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-5-8-10(4)9-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-4-7-8-5-9;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;1-6-4-2-3-5-6/h3*4-7H,1-3H3;4-5H,1-3H3;6*4-6H,1-3H3;4-7H,1-3H3;4-5H,1-3H3;5H,1-4H3;2*4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3;2-4H,1H3
InChIKeyGGTHUAMKEHVSTK-UHFFFAOYSA-N
MW2859.11 g/mol
LogP34.45
Rot. Bonds

About 2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole

2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole (PubChem CID 158251384) has the molecular formula C159H254FN47O and a molecular weight of 2859.11 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole.

Molecular Properties

Compound Name2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole
PubChem CID158251384
Molecular FormulaC159H254FN47O
Molecular Weight2859.11 g/mol
Exact Mass2857.13
IUPAC Name2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncncn1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.Cn1cccn1.Cn1ncc(C(C)(C)C)n1
InChIInChI=1S/3C9H13N.C8H11FN2.6C8H12N2.C8H13N.C7H11N3.C7H13N3.2C7H12N2.C7H11NO.4C6H11N3.C5H10N4.C4H6N2/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-5-8-10(4)9-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-4-7-8-5-9;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;1-6-4-2-3-5-6/h3*4-7H,1-3H3;4-5H,1-3H3;6*4-6H,1-3H3;4-7H,1-3H3;4-5H,1-3H3;5H,1-4H3;2*4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3;2-4H,1H3
InChIKeyGGTHUAMKEHVSTK-UHFFFAOYSA-N
XLogP34.45
TPSA539.37 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002859.11
LogP ≤ 534.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)-3H-pyrazol-1-ium;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;3-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole
CID 157488619
1-benzyl-2-(2-methylpropyl)imidazole;4-chloro-1-(2-methylpropyl)pyrazole;1-cyclopentyl-3-(2-methylpropyl)pyrazole;1-(1,1-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;4-(2,2-dimethylpropyl)-1-ethylpyrazole;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-1-methylimidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-1-(2-methylpropyl)pyrazole
CID 161821891
1-benzyl-2-(2-methylpropyl)imidazole;3-cyclopentyl-1-(2-methylpropyl)pyrazole;3-(1,1-difluoroethyl)-1-(2,2-dimethylpropyl)pyrazole;2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline;1-ethyl-3-(2-methylpropyl)pyrazole;1-(1-fluoroethyl)-3-(2-methylpropyl)pyrazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-2-(2-methylpropyl)-2H-imidazole;1-methyl-4-(2-methylpropyl)pyrazole
CID 161973202
2-Tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole
CID 157067700
1-Tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole
CID 157106362
5-chloro-3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one;1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methyl-4-(2-methylpropyl)pyridine;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]piperidin-3-ol;(3S)-1-[6-methyl-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;1-(2-methyl-1,3-oxazol-5-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(2-methylpyrimidin-4-yl)pyridin-2-one
CID 157425008
1-tert-butylbenzimidazole;1-tert-butyl-2-cyclopropylimidazole;2-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;2-tert-butyl-1,3-dioxolane;1-tert-butyl-2-ethylimidazole;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanoimidazole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-2-carbonitrile;1-tert-butylpyridin-2-one;2-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole
CID 157702051
CID 157712262
CID 157712262
1-tert-butyl-2-cyclopropylimidazole;2-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;1-tert-butyl-2-ethylimidazole;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;bis(1-tert-butylimidazole);1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;bis(2-tert-butyl-6-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butyl-1,2,4-triazole;methane
CID 157827251
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157904407
1-(3,3-Dimethylbutyl)imidazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3-oxazole
CID 157962019
2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole
CID 158051701

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole?
The IUPAC name of 2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole (CID 158251384) is 2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole.
What is the SMILES notation for 2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole?
The canonical SMILES for 2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole is CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncncn1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.Cn1cccn1.Cn1ncc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole?
The InChIKey is GGTHUAMKEHVSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.C8H11FN2.6C8H12N2.C8H13N.C7H11N3.C7H13N3.2C7H12N2.C7H11NO.4C6H11N3.C5H10N4.C4H6N2/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-5-8-10(4)9-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-4-7-8-5-9;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;1-6-4-2-3-5-6/h3*4-7H,1-3H3;4-5H,1-3H3;6*4-6H,1-3H3;4-7H,1-3H3;4-5H,1-3H3;5H,1-4H3;2*4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3;2-4H,1H3.
What are the key properties of 2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole?
2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole has a molecular weight of 2859.11 g/mol, XLogP of 34.45, 0 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole is sourced from PubChem (CID 158251384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).