bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole

C72H109N27O2S2 — CID 159973269

IUPACbis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole
SMILESCC.CC.CC.CC.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncc1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1cncn1.Cn1cnnn1.Cn1ncnn1
InChIInChI=1S/6C6H7N.C5H6N2.2C4H6N2O.2C4H6N2S.C3H5N3.2C2H4N4.4C2H6/c2*1-6-2-4-7-5-3-6;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-6-3-4-2-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6;4*1-2/h6*2-5H,1H3;2-4H,1H3;4*1-2H3;2-3H,1H3;2*2H,1H3;4*1-2H3
InChIKeyOEVDYHVLKTYOAT-UHFFFAOYSA-N
MW1448.98 g/mol
LogP15.15
Rot. Bonds

About bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole

bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole (PubChem CID 159973269) has the molecular formula C72H109N27O2S2 and a molecular weight of 1448.98 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Namebis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole
PubChem CID159973269
Molecular FormulaC72H109N27O2S2
Molecular Weight1448.98 g/mol
Exact Mass1447.87
IUPAC Namebis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole
SMILESCC.CC.CC.CC.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncc1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1cncn1.Cn1cnnn1.Cn1ncnn1
InChIInChI=1S/6C6H7N.C5H6N2.2C4H6N2O.2C4H6N2S.C3H5N3.2C2H4N4.4C2H6/c2*1-6-2-4-7-5-3-6;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-6-3-4-2-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6;4*1-2/h6*2-5H,1H3;2-4H,1H3;4*1-2H3;2-3H,1H3;2*2H,1H3;4*1-2H3
InChIKeyOEVDYHVLKTYOAT-UHFFFAOYSA-N
XLogP15.15
TPSA350.43 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001448.98
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole with MolForge

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Related Compounds

Bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 157104087
2,5-Dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;ethane;2-methylpyrimidine;1-methyl-1,2,4-triazole
CID 157251083
methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;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;5-propan-2-yl-1H-1,2,4-triazole
CID 158336105
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine
CID 158612962
1,3-Dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 159089311
2,5-Dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;1-methyl-1,2,4-triazole
CID 159567446
1,3-Dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 159850803
2,5-Di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;tris(3,5-di(propan-2-yl)pyridazine);bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
CID 161058793
1,4-Di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);1,3-di(propan-2-yl)pyrazole;bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,5-di(propan-2-yl)tetrazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
CID 161335086
3,4-Dimethyl-1,2,5-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;ethane;2-methylpyrimidine;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole
CID 161703382
2,5-Dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine
CID 161834021
2-Methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2,5-oxadiazole;5-methyl-1,2,4-oxadiazole;5-methyloxatriazole;6-methylpentazine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1,2,4,5-tetrazine;4-methyl-1,2,3,5-tetrazine;5-methyltetrazine;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;3-methyl-1,2,5-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;5-methylthiatriazole;bis(3-methyl-1,2,4-triazine);4-methyltriazine;5-methyltriazine;5-methyl-1,2,4-triazine
CID 161875491

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole?
The IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole (CID 159973269) is bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole.
What is the SMILES notation for bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole?
The canonical SMILES for bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole is CC.CC.CC.CC.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncc1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1cncn1.Cn1cnnn1.Cn1ncnn1.
What is the InChIKey of bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole?
The InChIKey is OEVDYHVLKTYOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H7N.C5H6N2.2C4H6N2O.2C4H6N2S.C3H5N3.2C2H4N4.4C2H6/c2*1-6-2-4-7-5-3-6;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-6-3-4-2-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6;4*1-2/h6*2-5H,1H3;2-4H,1H3;4*1-2H3;2-3H,1H3;2*2H,1H3;4*1-2H3.
What are the key properties of bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole?
bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole has a molecular weight of 1448.98 g/mol, XLogP of 15.15, 0 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-1,2,4-oxadiazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);1-methyltetrazole;2-methyltetrazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 159973269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).