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

C18H21N7O2 — CID 126910997

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

6-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 126910997) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
• PubChem CID: 126910997
• Molecular Formula: C18H21N7O2
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.18
• IUPAC Name: 6-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
• SMILES: Cn1c(=O)cc(N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)[nH]c1=O
• InChI: InChI=1S/C18H21N7O2/c1-23-16(26)10-15(19-18(23)27)24-8-6-12(7-9-24)17-21-20-14-5-4-13(11-2-3-11)22-25(14)17/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,27)
• InChIKey: BVPSAQGTQPISNP-UHFFFAOYSA-N
• XLogP: 0.77
• TPSA: 101.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 126910997) is 6-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

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

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

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

The InChIKey is BVPSAQGTQPISNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-23-16(26)10-15(19-18(23)27)24-8-6-12(7-9-24)17-21-20-14-5-4-13(11-2-3-11)22-25(14)17/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,27).

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

6-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 367.41 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126910997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).