6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C16H20N6O — CID 127910287

IUPAC6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCN(c1cc(N3CCCCC3)ncn1)C2
InChIInChI=1S/C16H20N6O/c23-16-8-12-10-22(7-4-13(12)19-20-16)15-9-14(17-11-18-15)21-5-2-1-3-6-21/h8-9,11H,1-7,10H2,(H,20,23)
InChIKeyQYBWJTRYTLUCNA-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.11
Rot. Bonds2

About 6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 127910287) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID127910287
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCN(c1cc(N3CCCCC3)ncn1)C2
InChIInChI=1S/C16H20N6O/c23-16-8-12-10-22(7-4-13(12)19-20-16)15-9-14(17-11-18-15)21-5-2-1-3-6-21/h8-9,11H,1-7,10H2,(H,20,23)
InChIKeyQYBWJTRYTLUCNA-UHFFFAOYSA-N
XLogP1.11
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 127910289
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133298817
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 131955905
5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 166296766
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
CID 102567441
2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50972592
methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate
CID 133333932
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694

Frequently Asked Questions

What is the IUPAC name of 6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 127910287) is 6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=c1cc2c(n[nH]1)CCN(c1cc(N3CCCCC3)ncn1)C2.
What is the InChIKey of 6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is QYBWJTRYTLUCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c23-16-8-12-10-22(7-4-13(12)19-20-16)15-9-14(17-11-18-15)21-5-2-1-3-6-21/h8-9,11H,1-7,10H2,(H,20,23).
What are the key properties of 6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 312.38 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 127910287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).