2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine

C₄₈H₆₀N₁₆O — CID 157060452

About 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine

2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine (PubChem CID 157060452) has the molecular formula C₄₈H₆₀N₁₆O and a molecular weight of 877.12 g/mol. Its IUPAC name is 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

• Compound Name: 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine
• PubChem CID: 157060452
• Molecular Formula: C₄₈H₆₀N₁₆O
• Molecular Weight: 877.12 g/mol
• Exact Mass: 876.51
• IUPAC Name: 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine
• SMILES: CC(C)c1cncc(-c2nn[nH]n2)c1.Cc1ncc(-c2cnccn2)cc1C(C)C.Cc1ncc(-c2ncccn2)cc1C(C)C.Cc1ncc(-c2nnnn2CCCO)cc1C(C)C
• InChI: InChI=1S/C13H19N5O.2C13H15N3.C9H11N5/c1-9(2)12-7-11(8-14-10(12)3)13-15-16-17-18(13)5-4-6-19;1-9(2)12-6-11(7-16-10(12)3)13-8-14-4-5-15-13;1-9(2)12-7-11(8-16-10(12)3)13-14-5-4-6-15-13;1-6(2)7-3-8(5-10-4-7)9-11-13-14-12-9/h7-9,19H,4-6H2,1-3H3;2*4-9H,1-3H3;3-6H,1-2H3,(H,11,12,13,14)
• InChIKey: ABGSMFMRBHKTLO-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 221.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.12
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine?

The IUPAC name of 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine (CID 157060452) is 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine.

What is the SMILES notation for 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine?

The canonical SMILES for 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine is CC(C)c1cncc(-c2nn[nH]n2)c1.Cc1ncc(-c2cnccn2)cc1C(C)C.Cc1ncc(-c2ncccn2)cc1C(C)C.Cc1ncc(-c2nnnn2CCCO)cc1C(C)C.

What is the InChIKey of 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine?

The InChIKey is ABGSMFMRBHKTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.2C13H15N3.C9H11N5/c1-9(2)12-7-11(8-14-10(12)3)13-15-16-17-18(13)5-4-6-19;1-9(2)12-6-11(7-16-10(12)3)13-8-14-4-5-15-13;1-9(2)12-7-11(8-16-10(12)3)13-14-5-4-6-15-13;1-6(2)7-3-8(5-10-4-7)9-11-13-14-12-9/h7-9,19H,4-6H2,1-3H3;2*4-9H,1-3H3;3-6H,1-2H3,(H,11,12,13,14).

What are the key properties of 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine?

2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine has a molecular weight of 877.12 g/mol, XLogP of 8.88, 11 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrazine;2-(6-methyl-5-propan-2-yl-3-pyridinyl)pyrimidine;3-[5-(6-methyl-5-propan-2-yl-3-pyridinyl)tetrazol-1-yl]propan-1-ol;3-propan-2-yl-5-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 157060452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157060452 — identifiers, structure, computed properties (public domain)

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