2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione

C13H16N4O3 — CID 166147588

IUPAC2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione
SMILESCn1[nH]c(=O)c2cn(C3CCNCC3)c(=O)cc2c1=O
InChIInChI=1S/C13H16N4O3/c1-16-13(20)9-6-11(18)17(7-10(9)12(19)15-16)8-2-4-14-5-3-8/h6-8,14H,2-5H2,1H3,(H,15,19)
InChIKeyXEDNBLIYXGBXPP-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.69
Rot. Bonds1

About 2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione

2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione (PubChem CID 166147588) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione.

Molecular Properties

Compound Name2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione
PubChem CID166147588
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione
SMILESCn1[nH]c(=O)c2cn(C3CCNCC3)c(=O)cc2c1=O
InChIInChI=1S/C13H16N4O3/c1-16-13(20)9-6-11(18)17(7-10(9)12(19)15-16)8-2-4-14-5-3-8/h6-8,14H,2-5H2,1H3,(H,15,19)
InChIKeyXEDNBLIYXGBXPP-UHFFFAOYSA-N
XLogP-0.69
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione?
The IUPAC name of 2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione (CID 166147588) is 2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione.
What is the SMILES notation for 2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione?
The canonical SMILES for 2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione is Cn1[nH]c(=O)c2cn(C3CCNCC3)c(=O)cc2c1=O.
What is the InChIKey of 2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione?
The InChIKey is XEDNBLIYXGBXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-16-13(20)9-6-11(18)17(7-10(9)12(19)15-16)8-2-4-14-5-3-8/h6-8,14H,2-5H2,1H3,(H,15,19).
What are the key properties of 2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione?
2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione has a molecular weight of 276.30 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione is sourced from PubChem (CID 166147588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).