2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine

C161H213N71O — CID 158524121

IUPAC2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine
SMILESCC(C)(C)c1[nH]nc2cncnc12.CC(C)(C)c1[nH]nc2cnncc12.CC(C)(C)c1[nH]nc2ncncc12.CC(C)(C)c1n[nH]c2ccnnc12.CC(C)(C)c1n[nH]c2nnccc12.CC(C)(C)c1nc2cnncc2[nH]1.CC(C)(C)c1nc2nccnc2[nH]1.CC(C)(C)c1nc2ncncc2[nH]1.CC(C)(C)c1nc2ncncc2[nH]1.CC(C)(C)c1nc2nnccc2[nH]1.CC(C)(C)c1nc2nnccc2[nH]1.CC(C)(C)c1noc2nccnc12.CC(C)(C)n1nc2cccnc2n1.CC(C)(C)n1nc2ccncc2n1.CC(C)(C)n1nnc2cccnc21.CC(C)(C)n1nnc2ccncc21.CC(C)(C)n1nnc2cnccc21.CC(C)n1nnc2ncccc21
InChIInChI=1S/16C9H12N4.C9H11N3O.C8H10N4/c2*1-9(2,3)8-12-6-4-10-5-11-7(6)13-8;1-9(2,3)8-7-6(12-13-8)4-10-5-11-7;1-9(2,3)7-6-4-10-5-11-8(6)13-12-7;1-9(2,3)8-12-6-4-10-11-5-7(6)13-8;1-9(2,3)8-6-4-10-11-5-7(6)12-13-8;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6;1-9(2,3)13-8-4-5-10-6-7(8)11-12-13;1-9(2,3)13-8-6-10-5-4-7(8)11-12-13;1-9(2,3)13-11-7-4-5-10-6-8(7)12-13;2*1-9(2,3)8-11-6-4-5-10-13-7(6)12-8;1-9(2,3)8-7-6(11-13-8)4-5-10-12-7;1-9(2,3)7-6-4-5-10-12-8(6)13-11-7;1-9(2,3)13-8-7(11-12-13)5-4-6-10-8;1-9(2,3)13-11-7-5-4-6-10-8(7)12-13;1-9(2,3)7-6-8(13-12-7)11-5-4-10-6;1-6(2)12-7-4-3-5-9-8(7)10-11-12/h2*4-5H,1-3H3,(H,10,11,12,13);4-5H,1-3H3,(H,12,13);4-5H,1-3H3,(H,10,11,12,13);2*4-5H,1-3H3,(H,12,13);4-5H,1-3H3,(H,10,11,12,13);3*4-6H,1-3H3;2*4-5H,1-3H3,(H,11,12,13);4-5H,1-3H3,(H,11,13);4-5H,1-3H3,(H,11,12,13);2*4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyHMORPYFHNDHXOU-UHFFFAOYSA-N
MW3158.97 g/mol
LogP29.38
Rot. Bonds1

About 2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine

2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine (PubChem CID 158524121) has the molecular formula C161H213N71O and a molecular weight of 3158.97 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine
PubChem CID158524121
Molecular FormulaC161H213N71O
Molecular Weight3158.97 g/mol
Exact Mass3156.88
IUPAC Name2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine
SMILESCC(C)(C)c1[nH]nc2cncnc12.CC(C)(C)c1[nH]nc2cnncc12.CC(C)(C)c1[nH]nc2ncncc12.CC(C)(C)c1n[nH]c2ccnnc12.CC(C)(C)c1n[nH]c2nnccc12.CC(C)(C)c1nc2cnncc2[nH]1.CC(C)(C)c1nc2nccnc2[nH]1.CC(C)(C)c1nc2ncncc2[nH]1.CC(C)(C)c1nc2ncncc2[nH]1.CC(C)(C)c1nc2nnccc2[nH]1.CC(C)(C)c1nc2nnccc2[nH]1.CC(C)(C)c1noc2nccnc12.CC(C)(C)n1nc2cccnc2n1.CC(C)(C)n1nc2ccncc2n1.CC(C)(C)n1nnc2cccnc21.CC(C)(C)n1nnc2ccncc21.CC(C)(C)n1nnc2cnccc21.CC(C)n1nnc2ncccc21
InChIInChI=1S/16C9H12N4.C9H11N3O.C8H10N4/c2*1-9(2,3)8-12-6-4-10-5-11-7(6)13-8;1-9(2,3)8-7-6(12-13-8)4-10-5-11-7;1-9(2,3)7-6-4-10-5-11-8(6)13-12-7;1-9(2,3)8-12-6-4-10-11-5-7(6)13-8;1-9(2,3)8-6-4-10-11-5-7(6)12-13-8;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6;1-9(2,3)13-8-4-5-10-6-7(8)11-12-13;1-9(2,3)13-8-6-10-5-4-7(8)11-12-13;1-9(2,3)13-11-7-4-5-10-6-8(7)12-13;2*1-9(2,3)8-11-6-4-5-10-13-7(6)12-8;1-9(2,3)8-7-6(11-13-8)4-5-10-12-7;1-9(2,3)7-6-4-5-10-12-8(6)13-11-7;1-9(2,3)13-8-7(11-12-13)5-4-6-10-8;1-9(2,3)13-11-7-5-4-6-10-8(7)12-13;1-9(2,3)7-6-8(13-12-7)11-5-4-10-6;1-6(2)12-7-4-3-5-9-8(7)10-11-12/h2*4-5H,1-3H3,(H,10,11,12,13);4-5H,1-3H3,(H,12,13);4-5H,1-3H3,(H,10,11,12,13);2*4-5H,1-3H3,(H,12,13);4-5H,1-3H3,(H,10,11,12,13);3*4-6H,1-3H3;2*4-5H,1-3H3,(H,11,12,13);4-5H,1-3H3,(H,11,13);4-5H,1-3H3,(H,11,12,13);2*4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyHMORPYFHNDHXOU-UHFFFAOYSA-N
XLogP29.38
TPSA912.47 Ų
H-Bond Donors11
H-Bond Acceptors61
Rotatable Bonds1
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003158.97
LogP ≤ 529.38
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1061

Analyze 2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-N-[(1R)-1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 136088181
N-[(1R)-1-[3-[5-(1-methylcyclopropyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-5-yl]ethyl]-1H-pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 136088259
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 157127766
CID 157138509
CID 157138509
1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 157569318
bis(6-tert-butylimidazo[1,5-a]pyrimidine);7-tert-butylimidazo[1,5-b]pyridazine;3-tert-butyl-2H-indazole;3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine;3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[4,5-c]pyridine;12-tert-butyl-1,3,4,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-c]pyridine;3'-tert-butylspiro[1,2-dihydroindole-3,7'-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine];3-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;1-tert-butyl-[1,2,4]triazolo[4,3-a]quinoline
CID 157593755
5-cyclohexyl-3-(1-methylpyrrol-3-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrrol-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrrol-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157658903
CID 158742168
CID 158742168
CID 158834478
CID 158834478
N-(5-bromopyrimidin-2-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-5-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158980590
1-butyl-3-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)pyrazolo[5,4-b]pyridin-5-amine;3-chloro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)pyrazolo[5,4-b]pyridin-5-amine;3-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)pyrazolo[5,4-b]pyridin-5-amine;3-chloro-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)pyrazolo[5,4-b]pyridin-5-amine;3-chloro-1-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)pyrazolo[5,4-b]pyridin-5-amine;3-[3-chloro-5-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)pyrazolo[5,4-b]pyridin-1-yl]prop-1-en-2-ol
CID 159705705
2-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,5-a]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine;3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;7-tert-butylpyrrolo[1,2-a]pyrazine;7-tert-butylpyrrolo[1,2-a]pyrimidine;6-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;6-tert-butylpyrrolo[1,2-c]pyrimidine;3-tert-butyl-[1,2]thiazolo[3,4-b]pyridine;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine
CID 159724031

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine?
The IUPAC name of 2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine (CID 158524121) is 2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine.
What is the SMILES notation for 2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine?
The canonical SMILES for 2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine is CC(C)(C)c1[nH]nc2cncnc12.CC(C)(C)c1[nH]nc2cnncc12.CC(C)(C)c1[nH]nc2ncncc12.CC(C)(C)c1n[nH]c2ccnnc12.CC(C)(C)c1n[nH]c2nnccc12.CC(C)(C)c1nc2cnncc2[nH]1.CC(C)(C)c1nc2nccnc2[nH]1.CC(C)(C)c1nc2ncncc2[nH]1.CC(C)(C)c1nc2ncncc2[nH]1.CC(C)(C)c1nc2nnccc2[nH]1.CC(C)(C)c1nc2nnccc2[nH]1.CC(C)(C)c1noc2nccnc12.CC(C)(C)n1nc2cccnc2n1.CC(C)(C)n1nc2ccncc2n1.CC(C)(C)n1nnc2cccnc21.CC(C)(C)n1nnc2ccncc21.CC(C)(C)n1nnc2cnccc21.CC(C)n1nnc2ncccc21.
What is the InChIKey of 2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine?
The InChIKey is HMORPYFHNDHXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/16C9H12N4.C9H11N3O.C8H10N4/c2*1-9(2,3)8-12-6-4-10-5-11-7(6)13-8;1-9(2,3)8-7-6(12-13-8)4-10-5-11-7;1-9(2,3)7-6-4-10-5-11-8(6)13-12-7;1-9(2,3)8-12-6-4-10-11-5-7(6)13-8;1-9(2,3)8-6-4-10-11-5-7(6)12-13-8;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6;1-9(2,3)13-8-4-5-10-6-7(8)11-12-13;1-9(2,3)13-8-6-10-5-4-7(8)11-12-13;1-9(2,3)13-11-7-4-5-10-6-8(7)12-13;2*1-9(2,3)8-11-6-4-5-10-13-7(6)12-8;1-9(2,3)8-7-6(11-13-8)4-5-10-12-7;1-9(2,3)7-6-4-5-10-12-8(6)13-11-7;1-9(2,3)13-8-7(11-12-13)5-4-6-10-8;1-9(2,3)13-11-7-5-4-6-10-8(7)12-13;1-9(2,3)7-6-8(13-12-7)11-5-4-10-6;1-6(2)12-7-4-3-5-9-8(7)10-11-12/h2*4-5H,1-3H3,(H,10,11,12,13);4-5H,1-3H3,(H,12,13);4-5H,1-3H3,(H,10,11,12,13);2*4-5H,1-3H3,(H,12,13);4-5H,1-3H3,(H,10,11,12,13);3*4-6H,1-3H3;2*4-5H,1-3H3,(H,11,12,13);4-5H,1-3H3,(H,11,13);4-5H,1-3H3,(H,11,12,13);2*4-6H,1-3H3;4-5H,1-3H3;3-6H,1-2H3.
What are the key properties of 2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine?
2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine has a molecular weight of 3158.97 g/mol, XLogP of 29.38, 1 rotatable bonds, 11 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-imidazo[4,5-b]pyrazine;bis(6-tert-butyl-5H-imidazo[4,5-c]pyridazine);2-tert-butyl-1H-imidazo[4,5-d]pyridazine;3-tert-butyl-[1,2]oxazolo[4,5-b]pyrazine;bis(8-tert-butyl-7H-purine);3-tert-butyl-1H-pyrazolo[4,3-c]pyridazine;3-tert-butyl-1H-pyrazolo[5,4-c]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyridazine;3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidine;3-tert-butyl-2H-pyrazolo[4,3-d]pyrimidine;2-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine;1-tert-butyltriazolo[4,5-c]pyridine;2-tert-butyltriazolo[4,5-c]pyridine;3-tert-butyltriazolo[4,5-c]pyridine;1-propan-2-yltriazolo[4,5-b]pyridine is sourced from PubChem (CID 158524121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).