methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate

C9H10N2O3 — CID 155228056

IUPACmethyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate
SMILESCOC(=O)c1cnn(C2CC2)c(=O)c1
InChIInChI=1S/C9H10N2O3/c1-14-9(13)6-4-8(12)11(10-5-6)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyFXFRWERWMUCIMG-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.36
Rot. Bonds2

About methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate

methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate (PubChem CID 155228056) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate
PubChem CID155228056
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namemethyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate
SMILESCOC(=O)c1cnn(C2CC2)c(=O)c1
InChIInChI=1S/C9H10N2O3/c1-14-9(13)6-4-8(12)11(10-5-6)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyFXFRWERWMUCIMG-UHFFFAOYSA-N
XLogP0.36
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate?
The IUPAC name of methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate (CID 155228056) is methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate.
What is the SMILES notation for methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate?
The canonical SMILES for methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate is COC(=O)c1cnn(C2CC2)c(=O)c1.
What is the InChIKey of methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate?
The InChIKey is FXFRWERWMUCIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-9(13)6-4-8(12)11(10-5-6)7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate?
methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate has a molecular weight of 194.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropyl-6-oxopyridazine-4-carboxylate is sourced from PubChem (CID 155228056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).