2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one

C19H22N10O — CID 126916136

About 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one

2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 126916136) has the molecular formula C19H22N10O and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

• Compound Name: 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
• PubChem CID: 126916136
• Molecular Formula: C19H22N10O
• Molecular Weight: 406.45 g/mol
• Exact Mass: 406.20
• IUPAC Name: 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
• SMILES: Cc1cc(N2CCN(CCn3nc(-n4cccn4)ccc3=O)CC2)n2ncnc2n1
• InChI: InChI=1S/C19H22N10O/c1-15-13-17(29-19(23-15)20-14-22-29)26-10-7-25(8-11-26)9-12-28-18(30)4-3-16(24-28)27-6-2-5-21-27/h2-6,13-14H,7-12H2,1H3
• InChIKey: NBLFEXNHGVDUTA-UHFFFAOYSA-N
• XLogP: -0.00
• TPSA: 102.27 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.45
LogP ≤ 5	-0.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?

The IUPAC name of 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one (CID 126916136) is 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one.

What is the SMILES notation for 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?

The canonical SMILES for 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one is Cc1cc(N2CCN(CCn3nc(-n4cccn4)ccc3=O)CC2)n2ncnc2n1.

What is the InChIKey of 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?

The InChIKey is NBLFEXNHGVDUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N10O/c1-15-13-17(29-19(23-15)20-14-22-29)26-10-7-25(8-11-26)9-12-28-18(30)4-3-16(24-28)27-6-2-5-21-27/h2-6,13-14H,7-12H2,1H3.

What are the key properties of 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?

2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 406.45 g/mol, XLogP of -0.00, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126916136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).