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

C20H20N8O2 — CID 126913144

IUPAC3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)[nH]c1=O
InChIInChI=1S/C20H20N8O2/c1-26-18(29)11-17(22-20(26)30)27-9-6-13(7-10-27)19-24-23-16-5-4-15(25-28(16)19)14-3-2-8-21-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,22,30)
InChIKeyMTFHXAKARSCNQE-UHFFFAOYSA-N
MW404.43 g/mol
LogP0.96
Rot. Bonds3

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

3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 126913144) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID126913144
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)[nH]c1=O
InChIInChI=1S/C20H20N8O2/c1-26-18(29)11-17(22-20(26)30)27-9-6-13(7-10-27)19-24-23-16-5-4-15(25-28(16)19)14-3-2-8-21-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,22,30)
InChIKeyMTFHXAKARSCNQE-UHFFFAOYSA-N
XLogP0.96
TPSA114.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione (CID 126913144) is 3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)[nH]c1=O.
What is the InChIKey of 3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is MTFHXAKARSCNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-26-18(29)11-17(22-20(26)30)27-9-6-13(7-10-27)19-24-23-16-5-4-15(25-28(16)19)14-3-2-8-21-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,22,30).
What are the key properties of 3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione?
3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 404.43 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126913144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).