1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine)

C140H249N41O2 — CID 159112016

IUPAC1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ncc[nH]1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.CC(C)(C)n1ncnn1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnoc1
InChIInChI=1S/2C8H13N.3C7H12N2.5C6H11N3.2C5H10N4.C5H5N.7C5H12.4C4H4N2.C4H4O.C3H3NO/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;1-6(2,3)9-4-7-8-5-9;1-6(2,3)9-5-7-4-8-9;2*1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;1-5(2,3)9-7-4-6-8-9;1-2-4-6-5-3-1;7*1-5(2,3)4;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1/h4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;5*4-5H,1-3H3;2*4H,1-3H3;1-5H;7*1-4H3;4*1-4H;1-4H;1-3H
InChIKeyKEPQVJMYIFSVQM-UHFFFAOYSA-N
MW2538.82 g/mol
LogP34.75
Rot. Bonds

About 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine)

1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine) (PubChem CID 159112016) has the molecular formula C140H249N41O2 and a molecular weight of 2538.82 g/mol. Its IUPAC name is 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine).

Molecular Properties

Compound Name1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine)
PubChem CID159112016
Molecular FormulaC140H249N41O2
Molecular Weight2538.82 g/mol
Exact Mass2537.06
IUPAC Name1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ncc[nH]1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.CC(C)(C)n1ncnn1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnoc1
InChIInChI=1S/2C8H13N.3C7H12N2.5C6H11N3.2C5H10N4.C5H5N.7C5H12.4C4H4N2.C4H4O.C3H3NO/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;1-6(2,3)9-4-7-8-5-9;1-6(2,3)9-5-7-4-8-9;2*1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;1-5(2,3)9-7-4-6-8-9;1-2-4-6-5-3-1;7*1-5(2,3)4;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1/h4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;5*4-5H,1-3H3;2*4H,1-3H3;1-5H;7*1-4H3;4*1-4H;1-4H;1-3H
InChIKeyKEPQVJMYIFSVQM-UHFFFAOYSA-N
XLogP34.75
TPSA484.97 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002538.82
LogP ≤ 534.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Analyze 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine)?
The IUPAC name of 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine) (CID 159112016) is 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine).
What is the SMILES notation for 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine)?
The canonical SMILES for 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ncc[nH]1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.CC(C)(C)n1ncnn1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cncnc1.c1cncnc1.c1cnoc1.
What is the InChIKey of 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine)?
The InChIKey is KEPQVJMYIFSVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13N.3C7H12N2.5C6H11N3.2C5H10N4.C5H5N.7C5H12.4C4H4N2.C4H4O.C3H3NO/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;1-6(2,3)9-4-7-8-5-9;1-6(2,3)9-5-7-4-8-9;2*1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;1-5(2,3)9-7-4-6-8-9;1-2-4-6-5-3-1;7*1-5(2,3)4;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1/h4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;5*4-5H,1-3H3;2*4H,1-3H3;1-5H;7*1-4H3;4*1-4H;1-4H;1-3H.
What are the key properties of 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine)?
1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine) has a molecular weight of 2538.82 g/mol, XLogP of 34.75, 0 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltetrazole;2-tert-butyltetrazole;bis(1-tert-butyltriazole);1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;heptakis(2,2-dimethylpropane);furan;1,2-oxazole;pyrazine;pyridazine;pyridine;bis(pyrimidine) is sourced from PubChem (CID 159112016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).