propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate

C10H14N2O3 — CID 106548408

IUPACpropan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
SMILESCc1cnn(CC(=O)OC(C)C)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-7(2)15-10(14)6-12-9(13)4-8(3)5-11-12/h4-5,7H,6H2,1-3H3
InChIKeyCKQMVKRGDJMUCJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.50
Rot. Bonds3

About propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate

propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate (PubChem CID 106548408) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
PubChem CID106548408
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namepropan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
SMILESCc1cnn(CC(=O)OC(C)C)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-7(2)15-10(14)6-12-9(13)4-8(3)5-11-12/h4-5,7H,6H2,1-3H3
InChIKeyCKQMVKRGDJMUCJ-UHFFFAOYSA-N
XLogP0.50
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)acetate
CID 162727176
Ethyl 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)acetate
CID 162727588
Ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 162727996
ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 175703327
Ethyl (6-oxopyridazin-1(6H)-yl)acetate
CID 45496282
Ethyl 2-fluoro-2-(6-oxopyridazin-1-yl)acetate
CID 81296975
Ethyl 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548439
Ethyl 2-(4-hydroxy-6-oxopyridazin-1-yl)acetate
CID 57119606
ethyl 2-[4-methyl-6-oxopyridazin-1(6H)-yl]propanoate
CID 66939398
2-(4-Methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 66939440
ethyl [4-methyl-6-oxopyridazin-1(6H)-yl]acetate
CID 77231410
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate (CID 106548408) is propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate is Cc1cnn(CC(=O)OC(C)C)c(=O)c1.
What is the InChIKey of propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate?
The InChIKey is CKQMVKRGDJMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)15-10(14)6-12-9(13)4-8(3)5-11-12/h4-5,7H,6H2,1-3H3.
What are the key properties of propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate?
propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate has a molecular weight of 210.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-methyl-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 106548408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).