propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

C9H14N2O3 — CID 112724973

IUPACpropyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCCCOC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C9H14N2O3/c1-3-6-14-9(13)7-4-5-8(12)11(2)10-7/h3-6H2,1-2H3
InChIKeyJTLRFEKZGCQXNN-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.55
Rot. Bonds3

About propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (PubChem CID 112724973) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Namepropyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
PubChem CID112724973
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namepropyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCCCOC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C9H14N2O3/c1-3-6-14-9(13)7-4-5-8(12)11(2)10-7/h3-6H2,1-2H3
InChIKeyJTLRFEKZGCQXNN-UHFFFAOYSA-N
XLogP0.55
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (CID 112724973) is propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is CCCOC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is JTLRFEKZGCQXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-6-14-9(13)7-4-5-8(12)11(2)10-7/h3-6H2,1-2H3.
What are the key properties of propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 112724973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).