1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

C36H51N19O3S2 — CID 158334274

IUPAC1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1ncco1.Cc1nccs1.Cc1ncon1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1
InChIInChI=1S/C5H7N.2C4H6N2.C4H5NO.C4H5NS.2C3H5N3.2C3H4N2O.C3H4N2S/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3/h2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;3*2H,1H3
InChIKeyZMCUQWVLDLAQQC-UHFFFAOYSA-N
MW862.07 g/mol
LogP5.53
Rot. Bonds

About 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (PubChem CID 158334274) has the molecular formula C36H51N19O3S2 and a molecular weight of 862.07 g/mol. Its IUPAC name is 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
PubChem CID158334274
Molecular FormulaC36H51N19O3S2
Molecular Weight862.07 g/mol
Exact Mass861.39
IUPAC Name1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1ncco1.Cc1nccs1.Cc1ncon1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1
InChIInChI=1S/C5H7N.2C4H6N2.C4H5NO.C4H5NS.2C3H5N3.2C3H4N2O.C3H4N2S/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3/h2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;3*2H,1H3
InChIKeyZMCUQWVLDLAQQC-UHFFFAOYSA-N
XLogP5.53
TPSA244.53 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500862.07
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole with MolForge

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Related Compounds

bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
CID 157469824
nonakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157676733
1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole
CID 158531802
1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium
CID 158575231
2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
CID 158943608
1,4-Dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
CID 159173932
1,2-Dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;1,5-dimethyltetrazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1,3-oxazole;2-methylpyrimidine;2-methyl-1,3-thiazole;pyridine;bis(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole
CID 159680074
1-Methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 159728061
1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole
CID 159737549
1,2-dimethylimidazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;methane;2-methyl-4-methylidene-1,3-thiazole;2-methyl-1,3-oxazole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;pyridine;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole
CID 160114148
3,5-Dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,3,4-oxadiazol-3-ium;bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 160126553
1,4-Dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
CID 160331133

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The IUPAC name of 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (CID 158334274) is 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.
What is the SMILES notation for 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The canonical SMILES for 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is Cc1ncco1.Cc1nccs1.Cc1ncon1.Cc1nnco1.Cc1nncs1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.
What is the InChIKey of 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The InChIKey is ZMCUQWVLDLAQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.2C4H6N2.C4H5NO.C4H5NS.2C3H5N3.2C3H4N2O.C3H4N2S/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;2*1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3/h2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;3*2H,1H3.
What are the key properties of 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole has a molecular weight of 862.07 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 158334274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).