5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one

C10H15N3O2 — CID 103218268

IUPAC5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1CCC(Cn2ncc(N)cc2=O)O1
InChIInChI=1S/C10H15N3O2/c1-7-2-3-9(15-7)6-13-10(14)4-8(11)5-12-13/h4-5,7,9H,2-3,6,11H2,1H3
InChIKeyIYIVGBXPXXIEDI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.39
Rot. Bonds2

About 5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one

5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one (PubChem CID 103218268) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
PubChem CID103218268
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1CCC(Cn2ncc(N)cc2=O)O1
InChIInChI=1S/C10H15N3O2/c1-7-2-3-9(15-7)6-13-10(14)4-8(11)5-12-13/h4-5,7,9H,2-3,6,11H2,1H3
InChIKeyIYIVGBXPXXIEDI-UHFFFAOYSA-N
XLogP0.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-morpholin-4-yl-2-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-one
CID 97208340
5-(4-methyl-1-piperazinyl)-2-(tetrahydro-2-furanylmethyl)-3(2H)-pyridazinone
CID 45932616
5-piperidin-1-yl-2-(tetrahydrofuran-2-ylmethyl)pyridazin-3(2H)-one
CID 72857552
5-piperazin-1-yl-2-(tetrahydrofuran-2-ylmethyl)pyridazin-3(2H)-one
CID 72865171
5-pyrrolidin-1-yl-2-(tetrahydrofuran-2-ylmethyl)pyridazin-3(2H)-one
CID 72924233
5-morpholin-4-yl-2-(tetrahydrofuran-2-ylmethyl)pyridazin-3(2H)-one
CID 72930604
2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97191012
2-[[(2R)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97191013
2-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 97206861
2-[[(2R)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 97206862
5-morpholin-4-yl-2-[[(2S)-oxolan-2-yl]methyl]pyridazin-3-one
CID 97208339
2-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylpyridazin-3-one
CID 97273068

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one (CID 103218268) is 5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one is CC1CCC(Cn2ncc(N)cc2=O)O1.
What is the InChIKey of 5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
The InChIKey is IYIVGBXPXXIEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-2-3-9(15-7)6-13-10(14)4-8(11)5-12-13/h4-5,7,9H,2-3,6,11H2,1H3.
What are the key properties of 5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one?
5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one has a molecular weight of 209.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-methyloxolan-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).