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

C16H20N6O — CID 127910289

IUPAC6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCN(c1ccnc(N3CCCCC3)n1)C2
InChIInChI=1S/C16H20N6O/c23-15-10-12-11-22(9-5-13(12)19-20-15)14-4-6-17-16(18-14)21-7-2-1-3-8-21/h4,6,10H,1-3,5,7-9,11H2,(H,20,23)
InChIKeyIKNJJCMAIACRNA-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.11
Rot. Bonds2

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

6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 127910289) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID127910289
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCN(c1ccnc(N3CCCCC3)n1)C2
InChIInChI=1S/C16H20N6O/c23-15-10-12-11-22(9-5-13(12)19-20-15)14-4-6-17-16(18-14)21-7-2-1-3-8-21/h4,6,10H,1-3,5,7-9,11H2,(H,20,23)
InChIKeyIKNJJCMAIACRNA-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-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

2-{[1-(5-Fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126863052
2-[2-(2-{[(5-Fluoropyrimidin-4-yl)amino]methyl}piperidin-1-yl)ethyl]-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126938294
6-oxo-1-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide
CID 45823128
6-(6-Piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 127910287
3-methyl-4-pyrimidin-2-yl-1H-pyridazin-6-one
CID 137500182
4-Methyl-8-[4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-4-oxobutyl]-2,5,6,7-tetrahydropyrido[2,3-c]pyridazin-3-one
CID 169932921
6-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-pyridazine-3-carboxamide
CID 37775396
6-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 45824523
5-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3(2H)-one
CID 50977262
2-((4-(pyrimidin-2-yl)piperazin-1-yl)methyl)-5,6,7,8-tetrahydrocinnolin-3(2H)-one
CID 60176845
2-(Pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253727
2-(3-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-pyrimidin-2-ylpropanamide
CID 72119452

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 127910289) is 6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=c1cc2c(n[nH]1)CCN(c1ccnc(N3CCCCC3)n1)C2.
What is the InChIKey of 6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is IKNJJCMAIACRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c23-15-10-12-11-22(9-5-13(12)19-20-15)14-4-6-17-16(18-14)21-7-2-1-3-8-21/h4,6,10H,1-3,5,7-9,11H2,(H,20,23).
What are the key properties of 6-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
6-(2-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-(2-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 127910289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).