3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine

C78H103N13S2 — CID 158670585

About 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine

3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine (PubChem CID 158670585) has the molecular formula C78H103N13S2 and a molecular weight of 1286.91 g/mol. Its IUPAC name is 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine
• PubChem CID: 158670585
• Molecular Formula: C78H103N13S2
• Molecular Weight: 1286.91 g/mol
• Exact Mass: 1285.79
• IUPAC Name: 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine
• SMILES: CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ccsc12.CC(C)(C)c1ccnc2sccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1ncncn1
• InChI: InChI=1S/C13H15N.C11H14N2.2C11H13NS.C9H13N.2C8H12N2.C7H11N3/c1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)9-4-6-12-10-8(9)5-7-13-10;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-7(2,3)6-9-4-8-5-10-6/h4-9H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3
• InChIKey: IDXBVIIFKANFJL-UHFFFAOYSA-N
• XLogP: 20.45
• TPSA: 159.09 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.91
LogP ≤ 5	20.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine?

The IUPAC name of 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine (CID 158670585) is 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine.

What is the SMILES notation for 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine?

The canonical SMILES for 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine is CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ccsc12.CC(C)(C)c1ccnc2sccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1ncncn1.

What is the InChIKey of 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine?

The InChIKey is IDXBVIIFKANFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C11H14N2.2C11H13NS.C9H13N.2C8H12N2.C7H11N3/c1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)9-4-6-12-10-8(9)5-7-13-10;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-7(2,3)6-9-4-8-5-10-6/h4-9H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3.

What are the key properties of 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine?

3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine has a molecular weight of 1286.91 g/mol, XLogP of 20.45, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyridazine;4-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;2-tert-butyl-1,3,5-triazine is sourced from PubChem (CID 158670585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).