1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine

C203H425N37O4S4 — CID 158205214

About 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine

1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine (PubChem CID 158205214) has the molecular formula C203H425N37O4S4 and a molecular weight of 3577.16 g/mol. Its IUPAC name is 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine.

Molecular Properties

• Compound Name: 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine
• PubChem CID: 158205214
• Molecular Formula: C203H425N37O4S4
• Molecular Weight: 3577.16 g/mol
• Exact Mass: 3574.31
• IUPAC Name: 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine
• SMILES: C=C1CC=CC=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)n1cccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccn1.CC(C)n1ccnc1.Cn1cccc1.Cn1ccccc1=O.Cn1cccn1.Cn1cccnc1=O.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1nccn1.c1ccncc1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1.c1ncsn1.c1nncs1
• InChI: InChI=1S/C8H13N.2C6H10N2.C6H7NO.C6H7N.C5H6N2O.C5H7N.C5H5N.2C5H12.2C4H6N2.C4H4N2.16C4H10.C3H5N3.C3H3N3.2C3H5N3.2C3H3NO.2C3H3NS.2C2H2N2S.21C2H6/c1-8(2,3)9-6-4-5-7-9;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-7-5-3-2-4-6(7)8;1-6-4-2-3-5-7-6;1-7-4-2-3-6-5(7)8;1-6-4-2-3-5-6;1-2-4-6-5-3-1;2*1-5(2,3)4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-5-4-6-3-1;16*1-4(2)3;1-6-3-4-2-5-6;1-4-2-6-3-5-1;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;21*1-2/h4-7H,1-3H3;2*3-6H,1-2H3;2-5H,1H3;2-3,5H,1,4H2;2-4H,1H3;2-5H,1H3;1-5H;2*1-4H3;2*2-4H,1H3;1-4H;16*4H,1-3H3;2-3H,1H3;1-3H;2*2-3H,1H3;4*1-3H;2*1-2H;21*1-2H3
• InChIKey: GBKKSSVSJISQBF-UHFFFAOYSA-N
• XLogP: 66.57
• TPSA: 449.26 Ų
• H-Bond Acceptors: 45
• Rotatable Bonds: 2
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3577.16
LogP ≤ 5	66.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?

The IUPAC name of 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine (CID 158205214) is 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine.

What is the SMILES notation for 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?

The canonical SMILES for 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine is C=C1CC=CC=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)n1cccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccn1.CC(C)n1ccnc1.Cn1cccc1.Cn1ccccc1=O.Cn1cccn1.Cn1cccnc1=O.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1nccn1.c1ccncc1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1.c1ncsn1.c1nncs1.

What is the InChIKey of 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?

The InChIKey is GBKKSSVSJISQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.2C6H10N2.C6H7NO.C6H7N.C5H6N2O.C5H7N.C5H5N.2C5H12.2C4H6N2.C4H4N2.16C4H10.C3H5N3.C3H3N3.2C3H5N3.2C3H3NO.2C3H3NS.2C2H2N2S.21C2H6/c1-8(2,3)9-6-4-5-7-9;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-7-5-3-2-4-6(7)8;1-6-4-2-3-5-7-6;1-7-4-2-3-6-5(7)8;1-6-4-2-3-5-6;1-2-4-6-5-3-1;2*1-5(2,3)4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-5-4-6-3-1;16*1-4(2)3;1-6-3-4-2-5-6;1-4-2-6-3-5-1;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;21*1-2/h4-7H,1-3H3;2*3-6H,1-2H3;2-5H,1H3;2-3,5H,1,4H2;2-4H,1H3;2-5H,1H3;1-5H;2*1-4H3;2*2-4H,1H3;1-4H;16*4H,1-3H3;2-3H,1H3;1-3H;2*2-3H,1H3;4*1-3H;2*1-2H;21*1-2H3.

What are the key properties of 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine?

1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine has a molecular weight of 3577.16 g/mol, XLogP of 66.57, 2 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylpyrrole;bis(2,2-dimethylpropane);ethane;2-methylidene-3H-pyridine;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyridin-2-one;1-methylpyrimidin-2-one;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,2-oxazole;1,3-oxazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine is sourced from PubChem (CID 158205214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).