2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide

C14H15N7O3S — CID 95919911

About 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95919911) has the molecular formula C14H15N7O3S and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 95919911
• Molecular Formula: C14H15N7O3S
• Molecular Weight: 361.39 g/mol
• Exact Mass: 361.10
• IUPAC Name: 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)Nc1nccs1
• InChI: InChI=1S/C14H15N7O3S/c22-10(17-13-16-2-8-25-13)9-21-14(23)20-3-1-15-11(12(20)18-21)19-4-6-24-7-5-19/h1-3,8H,4-7,9H2,(H,16,17,22)
• InChIKey: APBGSBCJZABVEN-UHFFFAOYSA-N
• XLogP: -0.18
• TPSA: 106.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.39
LogP ≤ 5	-0.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 95919911) is 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)Nc1nccs1.

What is the InChIKey of 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is APBGSBCJZABVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O3S/c22-10(17-13-16-2-8-25-13)9-21-14(23)20-3-1-15-11(12(20)18-21)19-4-6-24-7-5-19/h1-3,8H,4-7,9H2,(H,16,17,22).

What are the key properties of 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?

2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 361.39 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95919911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).