ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole

C168H315N47O5S3 — CID 159184023

IUPACethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
SMILESCC.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.CC1=CN=CC1.CC1=NC=CC1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccncn1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1ncccn1.Cc1nccs1.Cc1ncn[nH]1.Cc1nn[nH]n1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1.Cn1ncnn1
InChIInChI=1S/3C6H7N.4C5H6N2.2C5H7N.2C5H6O.4C4H6N2.3C4H5NO.3C4H5NS.4C3H5N3.2C2H4N4.27C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-3-4-2-5-6-3;1-3-2-4-6-5-3;1-6-4-2-3-5-6;1-2-3-5-6-4-2;27*1-2/h3*2-5H,1H3;4*2-4H,1H3;3-4H,2H2,1H3;2,4H,3H2,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);8*2-3H,1H3;2*2H,1H3,(H,4,5,6);2H,1H3;1H3,(H,3,4,5,6);27*1-2H3
InChIKeyKNGGSMTWMQQZDE-UHFFFAOYSA-N
MW3169.89 g/mol
LogP49.08
Rot. Bonds

About ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole

ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (PubChem CID 159184023) has the molecular formula C168H315N47O5S3 and a molecular weight of 3169.89 g/mol. Its IUPAC name is ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Nameethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
PubChem CID159184023
Molecular FormulaC168H315N47O5S3
Molecular Weight3169.89 g/mol
Exact Mass3167.50
IUPAC Nameethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
SMILESCC.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.CC1=CN=CC1.CC1=NC=CC1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccncn1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1ncccn1.Cc1nccs1.Cc1ncn[nH]1.Cc1nn[nH]n1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1.Cn1ncnn1
InChIInChI=1S/3C6H7N.4C5H6N2.2C5H7N.2C5H6O.4C4H6N2.3C4H5NO.3C4H5NS.4C3H5N3.2C2H4N4.27C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-3-4-2-5-6-3;1-3-2-4-6-5-3;1-6-4-2-3-5-6;1-2-3-5-6-4-2;27*1-2/h3*2-5H,1H3;4*2-4H,1H3;3-4H,2H2,1H3;2,4H,3H2,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);8*2-3H,1H3;2*2H,1H3,(H,4,5,6);2H,1H3;1H3,(H,3,4,5,6);27*1-2H3
InChIKeyKNGGSMTWMQQZDE-UHFFFAOYSA-N
XLogP49.08
TPSA645.17 Ų
H-Bond Donors5
H-Bond Acceptors50
Rotatable Bonds
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003169.89
LogP ≤ 549.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1050

Analyze ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole with MolForge

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Related Compounds

2-chloro-5-methylthiophene;2,5-dimethylfuran;bis(1,4-dimethylimidazole);1,5-dimethylimidazole;1,4-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethyl-2-(trifluoromethyl)furan;1-ethyl-4-methylpyrazole;2-ethynyl-5-methylthiophene;1-hydroxy-4-methylpyrazole;2-methylfuran;3-methyl-4H-pyrazole;2-methyl-1,3,4-thiadiazole;2-methylthiophene;5-methyl-1H-1,2,4-triazole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;1,2,5-trimethylimidazole;3,4,5-trimethyl-1,2-oxazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;2,3,4-trimethylthiophene
CID 157804731
3-Chloro-2-methylthiophene;2,3-dimethylfuran;4,5-dimethyl-2-phenyltriazole;1,2-dimethylpyrrole;4,5-dimethylthiadiazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-4-(trifluoromethyl)pyrimidine;1,4,5-trimethylimidazole
CID 158002845
2-chloro-5-methylthiophene;bis(1,4-dimethylimidazole);1,5-dimethylimidazole;1,4-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethyl-2-(trifluoromethyl)furan;1-ethyl-4-methylpyrazole;2-ethynyl-5-methylthiophene;1-hydroxy-4-methylpyrazole;2-methylfuran;3-methyl-4H-pyrazole;2-methyl-1,3,4-thiadiazole;2-methylthiophene;5-methyl-1H-1,2,4-triazole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;1,2,5-trimethylimidazole;3,4,5-trimethyl-1,2-oxazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;2,3,4-trimethylthiophene
CID 158229955
N,N-diethyl-4-propylaniline;N,N-dimethyl-4-propylaniline;3,5-dimethyl-4-propyl-1,2-oxazole;3,5-dimethyl-4-propyl-1H-pyrazole;4-ethyl-N,N-dimethylaniline;4-ethyl-1-oxidopyridin-1-ium;1-ethyl-4-propan-2-ylbenzene;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-1,3-thiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propylimidazole;1-methylsulfonyl-4-propan-2-ylbenzene;1-nitro-4-propylbenzene;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-ylthiophene;4-propylbenzenesulfonamide;2-propylfuran;5-propyl-1H-imidazole;2-propylpyrazine;2-propylpyridine;3-propylpyridine;4-propylpyridine;2-propylthiophene;2-(1,1,1-trifluoropropan-2-yl)furan;2-(1,1,1-trifluoropropan-2-yl)pyridine
CID 158380816
5-tert-butyl-2,3-dimethylfuran;3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyridine;4-tert-butyl-6-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-5-methyl-1,2,4-thiadiazole;4-tert-butyl-2-methyl-1,3-thiazole;4,5-dimethyl-1-propan-2-ylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;3-(2-fluoropropan-2-yl)-5-methyl-1,2-oxazole;5-methyl-3-(2-methylbutan-2-yl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;5-methyl-3-(trifluoromethyl)-1,2-oxazole;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 158832470
benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;bis(1-tert-butylimidazole);1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;dodecakis(2,2-dimethylpropane);furan;1-methylpyrazole;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;2H-tetrazole;1,3-thiazole;toluene
CID 159346623
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole
CID 141114805
methane;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;bis(4-propan-2-yl-2H-triazole)
CID 157055801
ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-methyl-1H-pyrazole;2-methylpyrazolo[1,5-a]pyridine
CID 157085631
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?
The IUPAC name of ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (CID 159184023) is ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is 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.CC1=CN=CC1.CC1=NC=CC1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccn[nH]1.Cc1ccncc1.Cc1ccncn1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1ncccn1.Cc1nccs1.Cc1ncn[nH]1.Cc1nn[nH]n1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1.Cn1ncnn1.
What is the InChIKey of ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?
The InChIKey is KNGGSMTWMQQZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.4C5H6N2.2C5H7N.2C5H6O.4C4H6N2.3C4H5NO.3C4H5NS.4C3H5N3.2C2H4N4.27C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-3-4-2-5-6-3;1-3-2-4-6-5-3;1-6-4-2-3-5-6;1-2-3-5-6-4-2;27*1-2/h3*2-5H,1H3;4*2-4H,1H3;3-4H,2H2,1H3;2,4H,3H2,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);8*2-3H,1H3;2*2H,1H3,(H,4,5,6);2H,1H3;1H3,(H,3,4,5,6);27*1-2H3.
What are the key properties of ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?
ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 3169.89 g/mol, XLogP of 49.08, 0 rotatable bonds, 5 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;3-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyrazine;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 159184023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).