2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

C99H150N20OS2 — CID 161394262

About 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 161394262) has the molecular formula C99H150N20OS2 and a molecular weight of 1700.56 g/mol. Its IUPAC name is 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 161394262
• Molecular Formula: C99H150N20OS2
• Molecular Weight: 1700.56 g/mol
• Exact Mass: 1699.17
• IUPAC Name: 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: CC(C)(C)C1=CCC=N1.CC(C)(C)c1ccc2c(n1)C=CC2.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccn2n1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)n1
• InChI: InChI=1S/C12H15N.C10H13N3.C9H13N.C8H14N2.3C8H12N2.C8H13N.C7H13N3.C7H11NO.2C7H11NS/c1-12(2,3)11-8-7-9-5-4-6-10(9)13-11;1-10(2,3)9-11-8-6-4-5-7-13(8)12-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-5-10(4)9-6;3*1-7(2,3)6-8-4-5-9-6/h4,6-8H,5H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;5-6H,1-4H3;3*4-6H,1-3H3;5-6H,4H2,1-3H3;5H,1-4H3;3*4-5H,1-3H3
• InChIKey: VTJQKOZZKIQSRD-UHFFFAOYSA-N
• XLogP: 24.75
• TPSA: 246.01 Ų
• H-Bond Acceptors: 23
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1700.56
LogP ≤ 5	24.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (CID 161394262) is 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)C1=CCC=N1.CC(C)(C)c1ccc2c(n1)C=CC2.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccn2n1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)n1.

What is the InChIKey of 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is VTJQKOZZKIQSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C10H13N3.C9H13N.C8H14N2.3C8H12N2.C8H13N.C7H13N3.C7H11NO.2C7H11NS/c1-12(2,3)11-8-7-9-5-4-6-10(9)13-11;1-10(2,3)9-11-8-6-4-5-7-13(8)12-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-5-10(4)9-6;3*1-7(2,3)6-8-4-5-9-6/h4,6-8H,5H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;5-6H,1-4H3;3*4-6H,1-3H3;5-6H,4H2,1-3H3;5H,1-4H3;3*4-5H,1-3H3.

What are the key properties of 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1700.56 g/mol, XLogP of 24.75, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 161394262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).