5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one

C9H13N3O2 — CID 103218294

IUPAC5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one
SMILESNc1cnn(CC2CCCO2)c(=O)c1
InChIInChI=1S/C9H13N3O2/c10-7-4-9(13)12(11-5-7)6-8-2-1-3-14-8/h4-5,8H,1-3,6,10H2
InChIKeyMPUOPIRJAMZFAR-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.00
Rot. Bonds2

About 5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one

5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one (PubChem CID 103218294) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one
PubChem CID103218294
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one
SMILESNc1cnn(CC2CCCO2)c(=O)c1
InChIInChI=1S/C9H13N3O2/c10-7-4-9(13)12(11-5-7)6-8-2-1-3-14-8/h4-5,8H,1-3,6,10H2
InChIKeyMPUOPIRJAMZFAR-UHFFFAOYSA-N
XLogP0.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.00
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-Chloro-2-(oxolan-2-ylmethyl)pyridazin-3-one
CID 177774589
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
2-(6-oxo-4-piperidin-1-ylpyridazin-1(6H)-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 72881282
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
N-[[(2S)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
CID 97196598
N-[[(2R)-oxolan-2-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
CID 97196599

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one (CID 103218294) is 5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one is Nc1cnn(CC2CCCO2)c(=O)c1.
What is the InChIKey of 5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one?
The InChIKey is MPUOPIRJAMZFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-7-4-9(13)12(11-5-7)6-8-2-1-3-14-8/h4-5,8H,1-3,6,10H2.
What are the key properties of 5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one?
5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one has a molecular weight of 195.22 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(oxolan-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103218294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).