8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C12H18N4O — CID 10125215

IUPAC8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]nc(CN2CCCC2)c2c1CCCN2
InChIInChI=1S/C12H18N4O/c17-12-9-4-3-5-13-11(9)10(14-15-12)8-16-6-1-2-7-16/h13H,1-8H2,(H,15,17)
InChIKeyHWAYRXVOIGAQHT-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds2

About 8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 10125215) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID10125215
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]nc(CN2CCCC2)c2c1CCCN2
InChIInChI=1S/C12H18N4O/c17-12-9-4-3-5-13-11(9)10(14-15-12)8-16-6-1-2-7-16/h13H,1-8H2,(H,15,17)
InChIKeyHWAYRXVOIGAQHT-UHFFFAOYSA-N
XLogP0.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-pentyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751914
8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751889
ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate
CID 66965956
3-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoic acid
CID 59755768
4-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 66966455
2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 25003643
8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751944
4-[3-(azetidin-1-yl)propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 10214596
benzyl 4-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]-1,4-diazepane-1-carboxylate;methanesulfonic acid
CID 87217755
8-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 69323817
1-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidine-3-carboxamide
CID 25122973
4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 66965939

Frequently Asked Questions

What is the IUPAC name of 8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 10125215) is 8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is O=c1[nH]nc(CN2CCCC2)c2c1CCCN2.
What is the InChIKey of 8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is HWAYRXVOIGAQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12-9-4-3-5-13-11(9)10(14-15-12)8-16-6-1-2-7-16/h13H,1-8H2,(H,15,17).
What are the key properties of 8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 234.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyrrolidin-1-ylmethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 10125215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).