1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole

C50H81N13O2S2 — CID 159531703

IUPAC1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nnc(C)n1C
InChIInChI=1S/3C7H12N2.2C6H9NO.2C6H9NS.C5H9N3/c1-5-6(2)9(4)7(3)8-5;2*1-5-6(2)8-9(4)7(5)3;4*1-4-5(2)8-6(3)7-4;1-4-6-7-5(2)8(4)3/h3*1-4H3;5*1-3H3
InChIKeyMDBRKKZYUFSALB-UHFFFAOYSA-N
MW960.42 g/mol
LogP11.80
Rot. Bonds

About 1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole

1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole (PubChem CID 159531703) has the molecular formula C50H81N13O2S2 and a molecular weight of 960.42 g/mol. Its IUPAC name is 1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole.

Molecular Properties

Compound Name1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole
PubChem CID159531703
Molecular FormulaC50H81N13O2S2
Molecular Weight960.42 g/mol
Exact Mass959.61
IUPAC Name1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nnc(C)n1C
InChIInChI=1S/3C7H12N2.2C6H9NO.2C6H9NS.C5H9N3/c1-5-6(2)9(4)7(3)8-5;2*1-5-6(2)8-9(4)7(5)3;4*1-4-5(2)8-6(3)7-4;1-4-6-7-5(2)8(4)3/h3*1-4H3;5*1-3H3
InChIKeyMDBRKKZYUFSALB-UHFFFAOYSA-N
XLogP11.80
TPSA162.01 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500960.42
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole with MolForge

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Related Compounds

3,5-Dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
CID 157299311
1,2,3,4,5-Pentamethylpyrrole;tris(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 157558308
1,2,3,4,5-Pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;bis(2,4,5-trimethyl-1,3-oxazole);2,4,5-trimethyl-1,3-thiazole
CID 157592169
Bis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);3,4,5-trimethyl-1,2-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2-thiazole
CID 157863921
1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane
CID 158043964
Bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 158123472
5-Tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene
CID 158142311
1,2,4-Tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one
CID 158352457
1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole
CID 158389756
1,2,3,5,6-Pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium
CID 158407638
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;1,4-dimethyl-5-propan-2-yl-4H-triazol-1-ium;4-methyl-5-propan-2-yloxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole
CID 158450197
Bis(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 159154479

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole?
The IUPAC name of 1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole (CID 159531703) is 1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole.
What is the SMILES notation for 1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole?
The canonical SMILES for 1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nnc(C)n1C.
What is the InChIKey of 1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole?
The InChIKey is MDBRKKZYUFSALB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H12N2.2C6H9NO.2C6H9NS.C5H9N3/c1-5-6(2)9(4)7(3)8-5;2*1-5-6(2)8-9(4)7(5)3;4*1-4-5(2)8-6(3)7-4;1-4-6-7-5(2)8(4)3/h3*1-4H3;5*1-3H3.
What are the key properties of 1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole?
1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 960.42 g/mol, XLogP of 11.80, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 159531703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).