5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

C19H21N7O3 — CID 126910918

About 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 126910918) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
• PubChem CID: 126910918
• Molecular Formula: C19H21N7O3
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.17
• IUPAC Name: 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
• SMILES: Cn1c(=O)[nH]cc(C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1=O
• InChI: InChI=1S/C19H21N7O3/c1-24-17(27)13(10-20-19(24)29)18(28)25-8-6-12(7-9-25)16-22-21-15-5-4-14(11-2-3-11)23-26(15)16/h4-5,10-12H,2-3,6-9H2,1H3,(H,20,29)
• InChIKey: BSUWACUWZOGPDU-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 118.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 126910918) is 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(C(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1=O.

What is the InChIKey of 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?

The InChIKey is BSUWACUWZOGPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-24-17(27)13(10-20-19(24)29)18(28)25-8-6-12(7-9-25)16-22-21-15-5-4-14(11-2-3-11)23-26(15)16/h4-5,10-12H,2-3,6-9H2,1H3,(H,20,29).

What are the key properties of 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?

5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 395.42 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126910918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).