2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine

C46H63N11O — CID 159505625

About 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine

2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine (PubChem CID 159505625) has the molecular formula C46H63N11O and a molecular weight of 786.09 g/mol. Its IUPAC name is 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine.

Molecular Properties

• Compound Name: 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine
• PubChem CID: 159505625
• Molecular Formula: C46H63N11O
• Molecular Weight: 786.09 g/mol
• Exact Mass: 785.52
• IUPAC Name: 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine
• SMILES: CC(C)N1Cc2ncccc2C1=O.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cnccn1.CC(C)c1nccnn1
• InChI: InChI=1S/C10H12N2O.2C8H11N.2C7H10N2.C6H9N3/c1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-7-3-4-8-9-6/h3-5,7H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
• InChIKey: LZYHTNRTIMDOBZ-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 149.21 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	786.09
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine?

The IUPAC name of 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine (CID 159505625) is 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine.

What is the SMILES notation for 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine?

The canonical SMILES for 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine is CC(C)N1Cc2ncccc2C1=O.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cnccn1.CC(C)c1nccnn1.

What is the InChIKey of 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine?

The InChIKey is LZYHTNRTIMDOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.2C8H11N.2C7H10N2.C6H9N3/c1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-7-3-4-8-9-6/h3-5,7H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3.

What are the key properties of 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine?

2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine has a molecular weight of 786.09 g/mol, XLogP of 10.05, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 159505625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).