3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole

C79H142N22O2S3 — CID 159778550

IUPAC3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1cscn1.Cc1ncn[nH]1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1ccnc1.Cn1cnnc1
InChIInChI=1S/3C6H7N.C5H6N2.C4H6N2O.C4H6N2S.2C4H6N2.C4H5NO.2C4H5NS.2C3H5N3.11C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;2*1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-6-2-4-5-3-6;1-3-4-2-5-6-3;11*1-2/h3*2-5H,1H3;2-4H,1H3;2*1-2H3;2-3H,1H3,(H,5,6);2-4H,1H3;4*2-3H,1H3;2H,1H3,(H,4,5,6);11*1-2H3
InChIKeyNHBDSFNQCAZXRN-UHFFFAOYSA-N
MW1528.36 g/mol
LogP23.04
Rot. Bonds

About 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole

3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole (PubChem CID 159778550) has the molecular formula C79H142N22O2S3 and a molecular weight of 1528.36 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
PubChem CID159778550
Molecular FormulaC79H142N22O2S3
Molecular Weight1528.36 g/mol
Exact Mass1527.08
IUPAC Name3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1cscn1.Cc1ncn[nH]1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1ccnc1.Cn1cnnc1
InChIInChI=1S/3C6H7N.C5H6N2.C4H6N2O.C4H6N2S.2C4H6N2.C4H5NO.2C4H5NS.2C3H5N3.11C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;2*1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-6-2-4-5-3-6;1-3-4-2-5-6-3;11*1-2/h3*2-5H,1H3;2-4H,1H3;2*1-2H3;2-3H,1H3,(H,5,6);2-4H,1H3;4*2-3H,1H3;2H,1H3,(H,4,5,6);11*1-2H3
InChIKeyNHBDSFNQCAZXRN-UHFFFAOYSA-N
XLogP23.04
TPSA299.74 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001528.36
LogP ≤ 523.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole with MolForge

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Related Compounds

1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole
CID 157170635
1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 157255170
3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole
CID 157415707
benzene;ethane;1H-imidazole;nonakis(2-methylpropane);1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,2,4-triazine
CID 157431179
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
2-tert-butyl-4-ethyl-1,3-thiazole;3-tert-butyl-5-(fluoromethyl)-1,2-oxazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tris(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157905791
cumene;ethane;1H-imidazole;icosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1H-pyrazole;pyridine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);bis(2H-triazole)
CID 158095666
1-Methyl-4-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158499325
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
ethane;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
CID 158607584
tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butylimidazole;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butylthiomorpholine;2-tert-butyltriazole;ethane;3-methylpyridine;4-methylpyridine
CID 158645388
4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine);2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-3H-pyrrole;4,5-di(propan-2-yl)-1,2-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;bis(4,5-di(propan-2-yl)triazine);bis(5,6-di(propan-2-yl)-1,2,4-triazine);ethane
CID 158656459

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole (CID 159778550) is 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1cscn1.Cc1ncn[nH]1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1ccnc1.Cn1cnnc1.
What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?
The InChIKey is NHBDSFNQCAZXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C5H6N2.C4H6N2O.C4H6N2S.2C4H6N2.C4H5NO.2C4H5NS.2C3H5N3.11C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;2*1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-6-2-4-5-3-6;1-3-4-2-5-6-3;11*1-2/h3*2-5H,1H3;2-4H,1H3;2*1-2H3;2-3H,1H3,(H,5,6);2-4H,1H3;4*2-3H,1H3;2H,1H3,(H,4,5,6);11*1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?
3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 1528.36 g/mol, XLogP of 23.04, 0 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 159778550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).