4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine

C151H193N31O2S3 — CID 159133633

IUPAC4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine
SMILESCC(C)(C)C1=NC=CC2N=NN=C12.CC(C)(C)c1ccccn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn2cccnc12.CC(C)(C)c1nccc2[nH]ccc12.CC(C)(C)c1nccc2[nH]cnc12.CC(C)(C)c1nccc2[nH]ncc12.CC(C)(C)c1nccc2cccnc12.CC(C)(C)c1nccc2ccoc12.CC(C)(C)c1nccc2ccsc12.CC(C)(C)c1nccc2occc12.CC(C)(C)c1nccc2sccc12.CC(C)(C)c1nccc2scnc12.CC(C)(C)c1ncccn1.CC(C)(C)c1nccn2ccnc12
InChIInChI=1S/C12H14N2.C11H14N2.2C11H13NO.2C11H13NS.4C10H13N3.C10H12N2S.C9H12N4.C9H13N.2C8H12N2/c1-12(2,3)11-10-9(6-8-14-11)5-4-7-13-10;1-11(2,3)10-8-4-6-12-9(8)5-7-13-10;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-9-8(4-6-12-10)5-7-13-9;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-9-8(4-6-12-10)5-7-13-9;1-10(2,3)8-9-12-5-7-13(9)6-4-11-8;1-10(2,3)9-7-6-12-13-8(7)4-5-11-9;1-10(2,3)9-8-7(4-5-11-9)12-6-13-8;1-10(2,3)8-7-12-13-6-4-5-11-9(8)13;1-10(2,3)9-8-7(4-5-11-9)13-6-12-8;1-9(2,3)8-7-6(4-5-10-8)11-13-12-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7/h4-8H,1-3H3;4-7,12H,1-3H3;5*4-7H,1-3H3;2*4-6H,1-3H3,(H,12,13);4-7H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyKHFAFUYMRBHZDP-UHFFFAOYSA-N
MW2570.62 g/mol
LogP38.90
Rot. Bonds

About 4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine

4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine (PubChem CID 159133633) has the molecular formula C151H193N31O2S3 and a molecular weight of 2570.62 g/mol. Its IUPAC name is 4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine
PubChem CID159133633
Molecular FormulaC151H193N31O2S3
Molecular Weight2570.62 g/mol
Exact Mass2568.51
IUPAC Name4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine
SMILESCC(C)(C)C1=NC=CC2N=NN=C12.CC(C)(C)c1ccccn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn2cccnc12.CC(C)(C)c1nccc2[nH]ccc12.CC(C)(C)c1nccc2[nH]cnc12.CC(C)(C)c1nccc2[nH]ncc12.CC(C)(C)c1nccc2cccnc12.CC(C)(C)c1nccc2ccoc12.CC(C)(C)c1nccc2ccsc12.CC(C)(C)c1nccc2occc12.CC(C)(C)c1nccc2sccc12.CC(C)(C)c1nccc2scnc12.CC(C)(C)c1ncccn1.CC(C)(C)c1nccn2ccnc12
InChIInChI=1S/C12H14N2.C11H14N2.2C11H13NO.2C11H13NS.4C10H13N3.C10H12N2S.C9H12N4.C9H13N.2C8H12N2/c1-12(2,3)11-10-9(6-8-14-11)5-4-7-13-10;1-11(2,3)10-8-4-6-12-9(8)5-7-13-10;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-9-8(4-6-12-10)5-7-13-9;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-9-8(4-6-12-10)5-7-13-9;1-10(2,3)8-9-12-5-7-13(9)6-4-11-8;1-10(2,3)9-7-6-12-13-8(7)4-5-11-9;1-10(2,3)9-8-7(4-5-11-9)12-6-13-8;1-10(2,3)8-7-12-13-6-4-5-11-9(8)13;1-10(2,3)9-8-7(4-5-11-9)13-6-12-8;1-9(2,3)8-7-6(4-5-10-8)11-13-12-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7/h4-8H,1-3H3;4-7,12H,1-3H3;5*4-7H,1-3H3;2*4-6H,1-3H3,(H,12,13);4-7H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyKHFAFUYMRBHZDP-UHFFFAOYSA-N
XLogP38.90
TPSA415.49 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002570.62
LogP ≤ 538.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine
CID 158087577
2-tert-butyl-3-methylpyrazine;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;8-tert-butyl-1,6-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyrimidine;methane
CID 159907631
6-tert-butylfuro[2,3-c]pyridin-7-one;7-tert-butyl-1,7-naphthyridin-8-one;5-tert-butylthieno[3,2-c]pyridin-4-one;6-tert-butylthieno[2,3-c]pyridin-7-one
CID 158856207
3aH-benzotriazole;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,2,3-benzothiadiazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,2-benzoxazole;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;3,4-dihydro-1H-quinolin-2-one;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[2,3-b]pyrazine;bis(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[3,2-b]pyridine;quinoline;1H-quinolin-2-one;quinoxaline;1,2,3,4-tetrahydroquinoline;thieno[2,3-b]pyridine
CID 161316142
7-[4-[4-(1-benzofuran-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1,3-benzothiazol-7-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-[4-(1H-indol-4-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-naphthalen-1-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinazolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;7-[4-(4-quinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 159051278
1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-indole;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
CID 158039060
1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane
CID 158307384
1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline
CID 165062456
tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 162279236
5-tert-butyl-2,3-dihydro-1H-isoindole;4-tert-butylimidazo[2,1-f][1,2,4]triazine;2-tert-butylpyridine;4-tert-butyl-2H-pyrrole;6-tert-butylquinoline;4-tert-butylthieno[3,2-d]pyrimidine
CID 157067530
benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;bis(1H-imidazole);1H-indazole;1H-indole;isoquinoline;(2-methylpropane);naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene;bis(1H-1,2,4-triazole)
CID 167675884
benzene;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;(1-tert-butylcyclopropyl)benzene;1-tert-butylimidazo[1,5-a]pyridine;6-tert-butyl-1H-indole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;2H-pyrrole
CID 163555103

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine?
The IUPAC name of 4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine (CID 159133633) is 4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine.
What is the SMILES notation for 4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine?
The canonical SMILES for 4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine is CC(C)(C)C1=NC=CC2N=NN=C12.CC(C)(C)c1ccccn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn2cccnc12.CC(C)(C)c1nccc2[nH]ccc12.CC(C)(C)c1nccc2[nH]cnc12.CC(C)(C)c1nccc2[nH]ncc12.CC(C)(C)c1nccc2cccnc12.CC(C)(C)c1nccc2ccoc12.CC(C)(C)c1nccc2ccsc12.CC(C)(C)c1nccc2occc12.CC(C)(C)c1nccc2sccc12.CC(C)(C)c1nccc2scnc12.CC(C)(C)c1ncccn1.CC(C)(C)c1nccn2ccnc12.
What is the InChIKey of 4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine?
The InChIKey is KHFAFUYMRBHZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C11H14N2.2C11H13NO.2C11H13NS.4C10H13N3.C10H12N2S.C9H12N4.C9H13N.2C8H12N2/c1-12(2,3)11-10-9(6-8-14-11)5-4-7-13-10;1-11(2,3)10-8-4-6-12-9(8)5-7-13-10;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-9-8(4-6-12-10)5-7-13-9;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-9-8(4-6-12-10)5-7-13-9;1-10(2,3)8-9-12-5-7-13(9)6-4-11-8;1-10(2,3)9-7-6-12-13-8(7)4-5-11-9;1-10(2,3)9-8-7(4-5-11-9)12-6-13-8;1-10(2,3)8-7-12-13-6-4-5-11-9(8)13;1-10(2,3)9-8-7(4-5-11-9)13-6-12-8;1-9(2,3)8-7-6(4-5-10-8)11-13-12-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7/h4-8H,1-3H3;4-7,12H,1-3H3;5*4-7H,1-3H3;2*4-6H,1-3H3,(H,12,13);4-7H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine?
4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine has a molecular weight of 2570.62 g/mol, XLogP of 38.90, 0 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine is sourced from PubChem (CID 159133633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).