5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one

C14H22N4O2 — CID 102819951

IUPAC5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCOC1CCN(c2cnn(C[C@H]3CCCN3)c(=O)c2)C1
InChIInChI=1S/C14H22N4O2/c1-20-13-4-6-17(10-13)12-7-14(19)18(16-8-12)9-11-3-2-5-15-11/h7-8,11,13,15H,2-6,9-10H2,1H3/t11-,13?/m1/s1
InChIKeyNWERTTSYHJAKGT-JTDNENJMSA-N
MW278.36 g/mol
LogP0.22
Rot. Bonds4

About 5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one

5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 102819951) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID102819951
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCOC1CCN(c2cnn(C[C@H]3CCCN3)c(=O)c2)C1
InChIInChI=1S/C14H22N4O2/c1-20-13-4-6-17(10-13)12-7-14(19)18(16-8-12)9-11-3-2-5-15-11/h7-8,11,13,15H,2-6,9-10H2,1H3/t11-,13?/m1/s1
InChIKeyNWERTTSYHJAKGT-JTDNENJMSA-N
XLogP0.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863
5-morpholin-4-yl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819931
2-(3-hydroxybutyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114396739
2-(3-bromopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114394487
2-[(2R)-2-aminopropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 104920927
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate
CID 114394179
5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
CID 114395969
2-(3-amino-2-methylpropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114393796
2-(5-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114397171
2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 114394188
propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114394176

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 102819951) is 5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one is COC1CCN(c2cnn(C[C@H]3CCCN3)c(=O)c2)C1.
What is the InChIKey of 5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is NWERTTSYHJAKGT-JTDNENJMSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-13-4-6-17(10-13)12-7-14(19)18(16-8-12)9-11-3-2-5-15-11/h7-8,11,13,15H,2-6,9-10H2,1H3/t11-,13?/m1/s1.
What are the key properties of 5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 102819951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).