Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
C173H261N83O9S9 — CID 157414269
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACmethane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
SMILESC.CC1=CCC=CN1.CC1CCCCN1.CC1CCCCO1.CC1CCCCS1.CC1CCCN1.CC1CCCO1.CC1CCCS1.Cc1ccccn1.Cc1cccnn1.Cc1ccn[nH]1.Cc1ccncn1.Cc1ccnnn1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]n1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cncnn1.Cc1cnncn1.Cc1cnon1.Cc1cnsn1.Cc1cocn1.Cc1conn1.Cc1cscn1.Cc1csnn1.Cc1ncc[nH]1.Cc1ncccn1.Cc1nccnn1.Cc1nccnn1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1ncncn1.Cc1ncon1.Cc1ncsn1.Cc1nn[nH]n1.Cc1nnco1.Cc1nncs1.Cn1cccn1.Cn1ccnn1.Cn1cncn1.Cn1nccn1.Cn1ncnn1
InChIInChI=1S/C6H13N.C6H9N.C6H7N.C6H12O.C6H12S.4C5H6N2.C5H11N.C5H10O.C5H10S.6C4H5N3.4C4H6N2.3C4H5NO.3C4H5NS.5C3H5N3.4C3H4N2O.4C3H4N2S.2C2H4N4.CH4/c5*1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;3*1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-2-5-3-6-7-4;2*1-4-5-2-3-6-7-4;1-4-2-3-5-7-6-4;1-4-2-5-3-6-4;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;1-3-2-4-6-5-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-2-4-6-5-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-2-4-6-5-3;1-6-4-2-3-5-6;1-2-3-5-6-4-2;/h6-7H,2-5H2,1H3;3-5,7H,2H2,1H3;2-5H,1H3;2*6H,2-5H2,1H3;4*2-4H,1H3;5-6H,2-4H2,1H3;2*5H,2-4H2,1H3;6*2-3H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;2*2-3H,1H3,(H,5,6);9*2-3H,1H3;2*2H,1H3,(H,4,5,6);9*2H,1H3;1H3,(H,3,4,5,6);1H4
InChIKeyBOQQZFFZNPAVIQ-UHFFFAOYSA-N
MW3936.17 g/mol
LogP29.67
Rot. Bonds
About Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (PubChem CID 157414269) has the molecular formula C173H261N83O9S9 and a molecular weight of 3936.17 g/mol. Its IUPAC name is methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.
Molecular Properties
| Compound Name | Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole |
|---|---|
| PubChem CID | 157414269 |
| Molecular Formula | C173H261N83O9S9 |
| Molecular Weight | 3936.17 g/mol |
| Exact Mass | 3933.00 |
| IUPAC Name | methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole |
| SMILES | C.CC1=CCC=CN1.CC1CCCCN1.CC1CCCCO1.CC1CCCCS1.CC1CCCN1.CC1CCCO1.CC1CCCS1.Cc1ccccn1.Cc1cccnn1.Cc1ccn[nH]1.Cc1ccncn1.Cc1ccnnn1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]n1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cncnn1.Cc1cnncn1.Cc1cnon1.Cc1cnsn1.Cc1cocn1.Cc1conn1.Cc1cscn1.Cc1csnn1.Cc1ncc[nH]1.Cc1ncccn1.Cc1nccnn1.Cc1nccnn1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1ncncn1.Cc1ncon1.Cc1ncsn1.Cc1nn[nH]n1.Cc1nnco1.Cc1nncs1.Cn1cccn1.Cn1ccnn1.Cn1cncn1.Cn1nccn1.Cn1ncnn1 |
| InChI | InChI=1S/C6H13N.C6H9N.C6H7N.C6H12O.C6H12S.4C5H6N2.C5H11N.C5H10O.C5H10S.6C4H5N3.4C4H6N2.3C4H5NO.3C4H5NS.5C3H5N3.4C3H4N2O.4C3H4N2S.2C2H4N4.CH4/c5*1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;3*1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-2-5-3-6-7-4;2*1-4-5-2-3-6-7-4;1-4-2-3-5-7-6-4;1-4-2-5-3-6-4;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;1-3-2-4-6-5-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-2-4-6-5-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-2-4-6-5-3;1-6-4-2-3-5-6;1-2-3-5-6-4-2;/h6-7H,2-5H2,1H3;3-5,7H,2H2,1H3;2-5H,1H3;2*6H,2-5H2,1H3;4*2-4H,1H3;5-6H,2-4H2,1H3;2*5H,2-4H2,1H3;6*2-3H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;2*2-3H,1H3,(H,5,6);9*2-3H,1H3;2*2H,1H3,(H,4,5,6);9*2H,1H3;1H3,(H,3,4,5,6);1H4 |
| InChIKey | BOQQZFFZNPAVIQ-UHFFFAOYSA-N |
| XLogP | 29.67 |
| TPSA | 1155.33 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 95 |
| Rotatable Bonds | |
| Heavy Atoms | 274 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3936.17 |
| LogP ≤ 5 | 29.67 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 95 |
Frequently Asked Questions
What is the IUPAC name of Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?
The IUPAC name of Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (CID 157414269) is methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is C.CC1=CCC=CN1.CC1CCCCN1.CC1CCCCO1.CC1CCCCS1.CC1CCCN1.CC1CCCO1.CC1CCCS1.Cc1ccccn1.Cc1cccnn1.Cc1ccn[nH]1.Cc1ccncn1.Cc1ccnnn1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]n1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cncnn1.Cc1cnncn1.Cc1cnon1.Cc1cnsn1.Cc1cocn1.Cc1conn1.Cc1cscn1.Cc1csnn1.Cc1ncc[nH]1.Cc1ncccn1.Cc1nccnn1.Cc1nccnn1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1ncncn1.Cc1ncon1.Cc1ncsn1.Cc1nn[nH]n1.Cc1nnco1.Cc1nncs1.Cn1cccn1.Cn1ccnn1.Cn1cncn1.Cn1nccn1.Cn1ncnn1.
What is the InChIKey of Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?
The InChIKey is BOQQZFFZNPAVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H9N.C6H7N.C6H12O.C6H12S.4C5H6N2.C5H11N.C5H10O.C5H10S.6C4H5N3.4C4H6N2.3C4H5NO.3C4H5NS.5C3H5N3.4C3H4N2O.4C3H4N2S.2C2H4N4.CH4/c5*1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;3*1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-2-5-3-6-7-4;2*1-4-5-2-3-6-7-4;1-4-2-3-5-7-6-4;1-4-2-5-3-6-4;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;1-3-2-4-6-5-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-2-4-6-5-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-2-4-6-5-3;1-6-4-2-3-5-6;1-2-3-5-6-4-2;/h6-7H,2-5H2,1H3;3-5,7H,2H2,1H3;2-5H,1H3;2*6H,2-5H2,1H3;4*2-4H,1H3;5-6H,2-4H2,1H3;2*5H,2-4H2,1H3;6*2-3H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;2*2-3H,1H3,(H,5,6);9*2-3H,1H3;2*2H,1H3,(H,4,5,6);9*2H,1H3;1H3,(H,3,4,5,6);1H4.
What are the key properties of Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?
Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 3936.17 g/mol, XLogP of 29.67, 0 rotatable bonds, 9 hydrogen bond donors, and 95 hydrogen bond acceptors.
Where does this data come from?
All data for Methane;2-methyl-1,4-dihydropyridine;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;4-methyloxadiazole;2-methyloxane;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methylpyrrolidine;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;2-methylthiane;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;2-methylthiolane;2-methyl-1,3,5-triazine;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 157414269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157414269 — identifiers, structure, computed properties (public domain)
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