methyl 3-(6-oxopyridazin-1-yl)propanoate

C8H10N2O3 — CID 62850480

IUPACmethyl 3-(6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)CCn1ncccc1=O
InChIInChI=1S/C8H10N2O3/c1-13-8(12)4-6-10-7(11)3-2-5-9-10/h2-3,5H,4,6H2,1H3
InChIKeyVABQLAMVJZPAMV-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.19
Rot. Bonds3

About methyl 3-(6-oxopyridazin-1-yl)propanoate

methyl 3-(6-oxopyridazin-1-yl)propanoate (PubChem CID 62850480) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 3-(6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-oxopyridazin-1-yl)propanoate
PubChem CID62850480
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 3-(6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)CCn1ncccc1=O
InChIInChI=1S/C8H10N2O3/c1-13-8(12)4-6-10-7(11)3-2-5-9-10/h2-3,5H,4,6H2,1H3
InChIKeyVABQLAMVJZPAMV-UHFFFAOYSA-N
XLogP-0.19
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-oxopyridazin-1-yl)propanoate?
The IUPAC name of methyl 3-(6-oxopyridazin-1-yl)propanoate (CID 62850480) is methyl 3-(6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(6-oxopyridazin-1-yl)propanoate is COC(=O)CCn1ncccc1=O.
What is the InChIKey of methyl 3-(6-oxopyridazin-1-yl)propanoate?
The InChIKey is VABQLAMVJZPAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-8(12)4-6-10-7(11)3-2-5-9-10/h2-3,5H,4,6H2,1H3.
What are the key properties of methyl 3-(6-oxopyridazin-1-yl)propanoate?
methyl 3-(6-oxopyridazin-1-yl)propanoate has a molecular weight of 182.18 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 62850480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).