3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide

C15H16N8O4 — CID 71805242

About 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide (PubChem CID 71805242) has the molecular formula C15H16N8O4 and a molecular weight of 372.35 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide
• PubChem CID: 71805242
• Molecular Formula: C15H16N8O4
• Molecular Weight: 372.35 g/mol
• Exact Mass: 372.13
• IUPAC Name: 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide
• SMILES: O=C(CCn1ccc(=O)[nH]c1=O)NCCn1nc(-n2cncn2)ccc1=O
• InChI: InChI=1S/C15H16N8O4/c24-12(3-6-21-7-4-13(25)19-15(21)27)17-5-8-22-14(26)2-1-11(20-22)23-10-16-9-18-23/h1-2,4,7,9-10H,3,5-6,8H2,(H,17,24)(H,19,25,27)
• InChIKey: IHHGUCQURPAMEY-UHFFFAOYSA-N
• XLogP: -2.12
• TPSA: 149.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.35
LogP ≤ 5	-2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide?

The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide (CID 71805242) is 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide.

What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide?

The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide is O=C(CCn1ccc(=O)[nH]c1=O)NCCn1nc(-n2cncn2)ccc1=O.

What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide?

The InChIKey is IHHGUCQURPAMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O4/c24-12(3-6-21-7-4-13(25)19-15(21)27)17-5-8-22-14(26)2-1-11(20-22)23-10-16-9-18-23/h1-2,4,7,9-10H,3,5-6,8H2,(H,17,24)(H,19,25,27).

What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide?

3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide has a molecular weight of 372.35 g/mol, XLogP of -2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 71805242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).