(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate

C11H14N2O4 — CID 166183013

IUPAC(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate
SMILESCc1cc(=O)c(COC(=O)C2(C)COC2)n[nH]1
InChIInChI=1S/C11H14N2O4/c1-7-3-9(14)8(13-12-7)4-17-10(15)11(2)5-16-6-11/h3H,4-6H2,1-2H3,(H,12,14)
InChIKeyJJMANNIVAZTUHV-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.16
Rot. Bonds3

About (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate

(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate (PubChem CID 166183013) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate.

Molecular Properties

Compound Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate
PubChem CID166183013
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate
SMILESCc1cc(=O)c(COC(=O)C2(C)COC2)n[nH]1
InChIInChI=1S/C11H14N2O4/c1-7-3-9(14)8(13-12-7)4-17-10(15)11(2)5-16-6-11/h3H,4-6H2,1-2H3,(H,12,14)
InChIKeyJJMANNIVAZTUHV-UHFFFAOYSA-N
XLogP0.16
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate?
The IUPAC name of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate (CID 166183013) is (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate.
What is the SMILES notation for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate?
The canonical SMILES for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate is Cc1cc(=O)c(COC(=O)C2(C)COC2)n[nH]1.
What is the InChIKey of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate?
The InChIKey is JJMANNIVAZTUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-3-9(14)8(13-12-7)4-17-10(15)11(2)5-16-6-11/h3H,4-6H2,1-2H3,(H,12,14).
What are the key properties of (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate?
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-methyloxetane-3-carboxylate is sourced from PubChem (CID 166183013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).