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

C58H96N20O2S2 — CID 161057366

IUPACbis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);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)n1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nnc(C)n1C
InChIInChI=1S/2C7H12N2.2C6H9NO.2C6H9NS.4C5H9N3/c2*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;3*1-4-6-5(2)8(3)7-4/h2*1-4H3;8*1-3H3
InChIKeyUCXVECPMVANUEH-UHFFFAOYSA-N
MW1169.68 g/mol
LogP11.75
Rot. Bonds

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

bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole (PubChem CID 161057366) has the molecular formula C58H96N20O2S2 and a molecular weight of 1169.68 g/mol. Its IUPAC name is bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole.

Molecular Properties

Compound Namebis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole
PubChem CID161057366
Molecular FormulaC58H96N20O2S2
Molecular Weight1169.68 g/mol
Exact Mass1168.75
IUPAC Namebis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);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)n1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nnc(C)n1C
InChIInChI=1S/2C7H12N2.2C6H9NO.2C6H9NS.4C5H9N3/c2*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;3*1-4-6-5(2)8(3)7-4/h2*1-4H3;8*1-3H3
InChIKeyUCXVECPMVANUEH-UHFFFAOYSA-N
XLogP11.75
TPSA236.32 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001169.68
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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

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Related Compounds

Bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
CID 157158452
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
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
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
1,2,4,5-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
1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-2-methyl-4H-imidazol-3-ium-5-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 160035081
Bis(1,2,3,4,5-pentamethylpyrrole);tris(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 160111833
1,2,4-Trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;1,3,4-trimethylpyrazole;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 160317382
3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole
CID 160899363
1,2,3,4,5-Pentamethylimidazol-1-ium;1,2,3,4,5-pentamethylpyrrole;tris(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
CID 161232679
1,2,3,4,5-Pentamethylimidazol-1-ium;1,2,3,4,5-pentamethylpyrrole;tris(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
CID 161450496

Frequently Asked Questions

What is the IUPAC name of bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole?
The IUPAC name of bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole (CID 161057366) is bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole.
What is the SMILES notation for bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole?
The canonical SMILES for bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);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)n1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nnc(C)n1C.
What is the InChIKey of bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole?
The InChIKey is UCXVECPMVANUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12N2.2C6H9NO.2C6H9NS.4C5H9N3/c2*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;3*1-4-6-5(2)8(3)7-4/h2*1-4H3;8*1-3H3.
What are the key properties of bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole?
bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 1169.68 g/mol, XLogP of 11.75, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 161057366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).