1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole

C184H293N45O6S9 — CID 159134033

IUPAC1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole
SMILESC1=CC2NC=CN2C=C1.C1=NN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnc2ccsc2c1.c1cnc2sccc2c1.c1cnc2sccc2c1.c1cnccn1.c1cncnc1.c1cnn2ccnc2c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1ncncn1.c1ncon1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C8H7N.C8H6O.C8H6S.C7H8N2.C7H6N2.3C7H5NS.C6H5N3.C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S.29C2H6.CH2N4/c3*1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-7-6(8-4-1)3-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;1-2-6-7-4-5-9(6)8-3-1;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-5-4-3-1;29*1-2;1-2-4-5-3-1/h1-6,9H;2*1-6H;1-8H;1-5H,(H,8,9);4*1-5H;1-5H;3*1-4H;1-5H;2*1-4H;1-3H;1-3H,(H,4,5);2-3H,1H2;4*1-3H;1-2H,(H,3,4,5);4*1-2H;29*1-2H3;1H,(H,2,3,4,5)
InChIKeyKHGFLAYKFYFCAV-UHFFFAOYSA-N
MW3520.28 g/mol
LogP58.35
Rot. Bonds

About 1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole

1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole (PubChem CID 159134033) has the molecular formula C184H293N45O6S9 and a molecular weight of 3520.28 g/mol. Its IUPAC name is 1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole.

Molecular Properties

Compound Name1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole
PubChem CID159134033
Molecular FormulaC184H293N45O6S9
Molecular Weight3520.28 g/mol
Exact Mass3517.15
IUPAC Name1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole
SMILESC1=CC2NC=CN2C=C1.C1=NN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnc2ccsc2c1.c1cnc2sccc2c1.c1cnc2sccc2c1.c1cnccn1.c1cncnc1.c1cnn2ccnc2c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1ncncn1.c1ncon1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C8H7N.C8H6O.C8H6S.C7H8N2.C7H6N2.3C7H5NS.C6H5N3.C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S.29C2H6.CH2N4/c3*1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-7-6(8-4-1)3-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;1-2-6-7-4-5-9(6)8-3-1;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-5-4-3-1;29*1-2;1-2-4-5-3-1/h1-6,9H;2*1-6H;1-8H;1-5H,(H,8,9);4*1-5H;1-5H;3*1-4H;1-5H;2*1-4H;1-3H;1-3H,(H,4,5);2-3H,1H2;4*1-3H;1-2H,(H,3,4,5);4*1-2H;29*1-2H3;1H,(H,2,3,4,5)
InChIKeyKHGFLAYKFYFCAV-UHFFFAOYSA-N
XLogP58.35
TPSA656.24 Ų
H-Bond Donors7
H-Bond Acceptors54
Rotatable Bonds
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003520.28
LogP ≤ 558.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1054

Analyze 1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 157712548
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;methane;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157989050
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-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;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
2-ethyl-N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;1-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;4-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;5-methyl-7-(propan-2-ylamino)pyrido[2,3-b]pyrazin-6-one;6-methyl-N-propan-2-ylthieno[2,3-c]pyridazin-3-amine;4-methyl-N-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-amine;5-methylsulfanyl-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-(propan-2-ylamino)-4H-pyrido[2,3-b]pyrazin-3-one;7-(propan-2-ylamino)-5H-pyrido[3,2-d]pyrimidin-6-one;7-(propan-2-ylamino)-2-(trifluoromethyl)-5H-pyrido[3,2-d]pyrimidin-6-one;N-propan-2-yl-1,2,3-benzothiadiazol-6-amine;N-propan-2-ylthiadiazolo[4,5-b]pyridin-6-amine;N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;N-propan-2-ylthieno[3,2-c]pyridazin-3-amine;N-propan-2-yl-6-(trifluoromethyl)furo[3,2-c]pyridazin-3-amine
CID 158077376
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;5H-imidazo[1,2-b]pyrazole;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158082249
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
3-tert-butyl-5-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;2,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-ethyl-5-methyltetrazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;2-methyl-4,5,6,7-tetrahydro-3H-indole;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 158248952
CID 158592718
CID 158592718
CID 159108040
CID 159108040

Frequently Asked Questions

What is the IUPAC name of 1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole?
The IUPAC name of 1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole (CID 159134033) is 1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole.
What is the SMILES notation for 1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole?
The canonical SMILES for 1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole is C1=CC2NC=CN2C=C1.C1=NN=CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnc2ccsc2c1.c1cnc2sccc2c1.c1cnc2sccc2c1.c1cnccn1.c1cncnc1.c1cnn2ccnc2c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1csnn1.c1nc[nH]n1.c1ncncn1.c1ncon1.c1nn[nH]n1.c1nnco1.c1nncs1.
What is the InChIKey of 1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole?
The InChIKey is KHGFLAYKFYFCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C8H6O.C8H6S.C7H8N2.C7H6N2.3C7H5NS.C6H5N3.C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S.29C2H6.CH2N4/c3*1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-7-6(8-4-1)3-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;1-2-6-7-4-5-9(6)8-3-1;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-5-4-3-1;29*1-2;1-2-4-5-3-1/h1-6,9H;2*1-6H;1-8H;1-5H,(H,8,9);4*1-5H;1-5H;3*1-4H;1-5H;2*1-4H;1-3H;1-3H,(H,4,5);2-3H,1H2;4*1-3H;1-2H,(H,3,4,5);4*1-2H;29*1-2H3;1H,(H,2,3,4,5).
What are the key properties of 1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole?
1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole has a molecular weight of 3520.28 g/mol, XLogP of 58.35, 0 rotatable bonds, 7 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8a-dihydroimidazo[1,2-a]pyridine;1-benzofuran;1-benzothiophene;ethane;furan;imidazo[1,2-b]pyridazine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thiophene;1,3,5-triazine;1H-1,2,4-triazole is sourced from PubChem (CID 159134033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).