methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate

C8H8N2O3 — CID 178200725

IUPACmethyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate
SMILESCOC(=O)c1cc2c(nn1)OCC2
InChIInChI=1S/C8H8N2O3/c1-12-8(11)6-4-5-2-3-13-7(5)10-9-6/h4H,2-3H2,1H3
InChIKeyWPGXWRWBDORVOH-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.20
Rot. Bonds1

About methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate

methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate (PubChem CID 178200725) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate
PubChem CID178200725
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Namemethyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate
SMILESCOC(=O)c1cc2c(nn1)OCC2
InChIInChI=1S/C8H8N2O3/c1-12-8(11)6-4-5-2-3-13-7(5)10-9-6/h4H,2-3H2,1H3
InChIKeyWPGXWRWBDORVOH-UHFFFAOYSA-N
XLogP0.20
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate?
The IUPAC name of methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate (CID 178200725) is methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate?
The canonical SMILES for methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate is COC(=O)c1cc2c(nn1)OCC2.
What is the InChIKey of methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate?
The InChIKey is WPGXWRWBDORVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-12-8(11)6-4-5-2-3-13-7(5)10-9-6/h4H,2-3H2,1H3.
What are the key properties of methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate?
methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate has a molecular weight of 180.16 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate is sourced from PubChem (CID 178200725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).