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

C8H10N2O3 — CID 174467407

IUPACmethyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate
SMILESCOC(=O)CCc1cn[nH]c(=O)c1
InChIInChI=1S/C8H10N2O3/c1-13-8(12)3-2-6-4-7(11)10-9-5-6/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyZLURCTLRBFDNOB-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.12
Rot. Bonds3

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

methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate (PubChem CID 174467407) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate
PubChem CID174467407
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate
SMILESCOC(=O)CCc1cn[nH]c(=O)c1
InChIInChI=1S/C8H10N2O3/c1-13-8(12)3-2-6-4-7(11)10-9-5-6/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyZLURCTLRBFDNOB-UHFFFAOYSA-N
XLogP-0.12
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-pyrimidin-5-ylpropanoate
CID 18470121
methyl 6-oxo-1H-pyridazine-4-carboxylate
CID 53249880
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
methyl 3-(2-chloropyrimidin-5-yl)propanoate
CID 146344248
methyl 3-pyridin-4-ylpropanoate
CID 3704115
ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate
CID 114391976
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
CID 606437
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate
CID 121212036
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
2-(6-oxo-1H-pyridazin-4-yl)acetonitrile
CID 84762415
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate?
The IUPAC name of methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate (CID 174467407) is methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate.
What is the SMILES notation for methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate?
The canonical SMILES for methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate is COC(=O)CCc1cn[nH]c(=O)c1.
What is the InChIKey of methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate?
The InChIKey is ZLURCTLRBFDNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-8(12)3-2-6-4-7(11)10-9-5-6/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate?
methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate has a molecular weight of 182.18 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-oxo-1H-pyridazin-4-yl)propanoate is sourced from PubChem (CID 174467407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).