benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C245H404N46O3S — CID 159967874

IUPACbenzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=CCN=C1.C1=CN=CC1.C1=Cc2ccccc2C1.C1=NC=NC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.O=c1cccc[nH]1.c1cc2ccncn2c1.c1cc2nccn2cn1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1ccn2nnnc2c1.c1ccncc1.c1ccnnc1.c1cn2ccnc2cn1.c1cnc2nccn2c1.c1cnccn1.c1cncnc1.c1cnn2ccnc2c1.c1cnoc1.c1cscn1.c1nnco1
InChIInChI=1S/C9H8.4C7H6N2.6C6H5N3.C6H6.C5H4N4.C5H5NO.C5H5N.24C5H12.3C4H4N2.2C4H5N.C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-5-9-7-3-6-8(9)4-1;1-2-7-3-4-8-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-4-6-5-3-1;1-2-4-9-5(3-1)6-7-8-9;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;24*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1/h1-6H,7H2;4*1-6H;6*1-5H;1-6H;1-4H;1-4H,(H,6,7);1-5H;24*1-4H3;3*1-4H;1,3-4H,2H2;1-3H,4H2;1,3H,2H2;2*1-3H;1-2H
InChIKeyOEDYGUYKCBQAIF-UHFFFAOYSA-N
MW4074.31 g/mol
LogP69.51
Rot. Bonds

About benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159967874) has the molecular formula C245H404N46O3S and a molecular weight of 4074.31 g/mol. Its IUPAC name is benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Namebenzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID159967874
Molecular FormulaC245H404N46O3S
Molecular Weight4074.31 g/mol
Exact Mass4071.26
IUPAC Namebenzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=CCN=C1.C1=CN=CC1.C1=Cc2ccccc2C1.C1=NC=NC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.O=c1cccc[nH]1.c1cc2ccncn2c1.c1cc2nccn2cn1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1ccn2nnnc2c1.c1ccncc1.c1ccnnc1.c1cn2ccnc2cn1.c1cnc2nccn2c1.c1cnccn1.c1cncnc1.c1cnn2ccnc2c1.c1cnoc1.c1cscn1.c1nnco1
InChIInChI=1S/C9H8.4C7H6N2.6C6H5N3.C6H6.C5H4N4.C5H5NO.C5H5N.24C5H12.3C4H4N2.2C4H5N.C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-5-9-7-3-6-8(9)4-1;1-2-7-3-4-8-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-4-6-5-3-1;1-2-4-9-5(3-1)6-7-8-9;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;24*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1/h1-6H,7H2;4*1-6H;6*1-5H;1-6H;1-4H;1-4H,(H,6,7);1-5H;24*1-4H3;3*1-4H;1,3-4H,2H2;1-3H,4H2;1,3H,2H2;2*1-3H;1-2H
InChIKeyOEDYGUYKCBQAIF-UHFFFAOYSA-N
XLogP69.51
TPSA543.79 Ų
H-Bond Donors1
H-Bond Acceptors49
Rotatable Bonds
Heavy Atoms295
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004074.31
LogP ≤ 569.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1049

Analyze benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;ethane;methane
CID 157528385
propan-2-ylcyclohexane;1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole
CID 157534904
butane;butan-2-one;methoxymethane;methyl acetate;3-methylazetidine;2-methyl-1,3-benzothiazole;methylcyclohexane;6-methylimidazo[1,2-b]pyridazine;4-methyloxane;4-methyl-1,2-oxazole;4-methylpiperidine;5-methyl-1H-pyrazole;2-methylpyridine;bis(3-methylpyridine);4-methyl-1H-pyridin-2-one;4-methylpyrimidine;3-methyl-1H-pyrrole;1-methylpyrrolidine;(3S)-3-methylpyrrolidine;2-methyl-1,3-thiazole;3-methylthiophene;toluene
CID 157803580
3-methylcinnoline;1-methylimidazole;2-methyl-1H-imidazole;3-methyl-2H-indazole;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methylquinazoline;2-methylquinoxaline;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
CID 157863458
8-(2-methoxypyrimidin-5-yl)-2-(1,2-oxazol-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(1-methyl-6-oxo-3-pyridinyl)-2-propan-2-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methylpyrimidin-5-yl)-2-(1,2-oxazol-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridazin-4-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
CID 157945854
tert-butylbenzene;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157988527
2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane
CID 158058191
8-(5-amino-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;methane;8-(2-methylpyrimidin-5-yl)-2-(1,2-oxazol-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-propan-2-yl-8-pyridazin-4-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
CID 158288325
N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-5-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine
CID 158297922
1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole
CID 158526642
4-Tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane;methane
CID 158917141
2-methyl-1H-benzimidazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1,3-thiazole;toluene
CID 159307252

Frequently Asked Questions

What is the IUPAC name of benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 159967874) is benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is C1=CCN=C1.C1=CN=CC1.C1=Cc2ccccc2C1.C1=NC=NC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.O=c1cccc[nH]1.c1cc2ccncn2c1.c1cc2nccn2cn1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1ccn2nnnc2c1.c1ccncc1.c1ccnnc1.c1cn2ccnc2cn1.c1cnc2nccn2c1.c1cnccn1.c1cncnc1.c1cnn2ccnc2c1.c1cnoc1.c1cscn1.c1nnco1.
What is the InChIKey of benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OEDYGUYKCBQAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.4C7H6N2.6C6H5N3.C6H6.C5H4N4.C5H5NO.C5H5N.24C5H12.3C4H4N2.2C4H5N.C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-5-9-7-3-6-8(9)4-1;1-2-7-3-4-8-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-7-4-5-9(6)8-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-4-6-5-3-1;1-2-4-9-5(3-1)6-7-8-9;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;24*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1/h1-6H,7H2;4*1-6H;6*1-5H;1-6H;1-4H;1-4H,(H,6,7);1-5H;24*1-4H3;3*1-4H;1,3-4H,2H2;1-3H,4H2;1,3H,2H2;2*1-3H;1-2H.
What are the key properties of benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 4074.31 g/mol, XLogP of 69.51, 0 rotatable bonds, 1 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159967874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).