4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one

C9H13N3O2 — CID 104920849

IUPAC4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one
SMILESCOC1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C9H13N3O2/c1-14-8-2-3-12(6-8)7-4-9(13)11-10-5-7/h4-5,8H,2-3,6H2,1H3,(H,11,13)
InChIKeyMVUJDKNXWUETKJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.00
Rot. Bonds2

About 4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one

4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one (PubChem CID 104920849) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one
PubChem CID104920849
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one
SMILESCOC1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C9H13N3O2/c1-14-8-2-3-12(6-8)7-4-9(13)11-10-5-7/h4-5,8H,2-3,6H2,1H3,(H,11,13)
InChIKeyMVUJDKNXWUETKJ-UHFFFAOYSA-N
XLogP-0.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one (CID 104920849) is 4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one is COC1CCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is MVUJDKNXWUETKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-8-2-3-12(6-8)7-4-9(13)11-10-5-7/h4-5,8H,2-3,6H2,1H3,(H,11,13).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one?
4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 104920849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).