3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

C18H18N8O2 — CID 91628058

About 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 91628058) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
• PubChem CID: 91628058
• Molecular Formula: C18H18N8O2
• Molecular Weight: 378.40 g/mol
• Exact Mass: 378.16
• IUPAC Name: 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
• SMILES: Cc1cc(C)n2nc(C(=O)N3CCCC(Oc4nccnc4C#N)C3)nc2n1
• InChI: InChI=1S/C18H18N8O2/c1-11-8-12(2)26-18(22-11)23-15(24-26)17(27)25-7-3-4-13(10-25)28-16-14(9-19)20-5-6-21-16/h5-6,8,13H,3-4,7,10H2,1-2H3
• InChIKey: OYNFZCDGCJJOST-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 122.19 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.40
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?

The IUPAC name of 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (CID 91628058) is 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.

What is the SMILES notation for 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?

The canonical SMILES for 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is Cc1cc(C)n2nc(C(=O)N3CCCC(Oc4nccnc4C#N)C3)nc2n1.

What is the InChIKey of 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?

The InChIKey is OYNFZCDGCJJOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-11-8-12(2)26-18(22-11)23-15(24-26)17(27)25-7-3-4-13(10-25)28-16-14(9-19)20-5-6-21-16/h5-6,8,13H,3-4,7,10H2,1-2H3.

What are the key properties of 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?

3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 378.40 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91628058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).