6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one

C10H15N3O2 — CID 102819960

IUPAC6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(C[C@@H]2CCCN2)n1
InChIInChI=1S/C10H15N3O2/c1-15-9-4-5-10(14)13(12-9)7-8-3-2-6-11-8/h4-5,8,11H,2-3,6-7H2,1H3/t8-/m0/s1
InChIKeyDDGNMNMYKFJFDU-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.00
Rot. Bonds3

About 6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one

6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 102819960) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID102819960
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(C[C@@H]2CCCN2)n1
InChIInChI=1S/C10H15N3O2/c1-15-9-4-5-10(14)13(12-9)7-8-3-2-6-11-8/h4-5,8,11H,2-3,6-7H2,1H3/t8-/m0/s1
InChIKeyDDGNMNMYKFJFDU-QMMMGPOBSA-N
XLogP0.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 102819960) is 6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one is COc1ccc(=O)n(C[C@@H]2CCCN2)n1.
What is the InChIKey of 6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is DDGNMNMYKFJFDU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-9-4-5-10(14)13(12-9)7-8-3-2-6-11-8/h4-5,8,11H,2-3,6-7H2,1H3/t8-/m0/s1.
What are the key properties of 6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 209.25 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 102819960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).