3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine

C12H12N2O4 — CID 10444682

IUPAC3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine
SMILESCOc1ccc(-c2ccc(C3OCCO3)o2)nn1
InChIInChI=1S/C12H12N2O4/c1-15-11-5-2-8(13-14-11)9-3-4-10(18-9)12-16-6-7-17-12/h2-5,12H,6-7H2,1H3
InChIKeyBFAUYTXZNXUCIN-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.79
Rot. Bonds3

About 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine

3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine (PubChem CID 10444682) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine.

Molecular Properties

Compound Name3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine
PubChem CID10444682
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine
SMILESCOc1ccc(-c2ccc(C3OCCO3)o2)nn1
InChIInChI=1S/C12H12N2O4/c1-15-11-5-2-8(13-14-11)9-3-4-10(18-9)12-16-6-7-17-12/h2-5,12H,6-7H2,1H3
InChIKeyBFAUYTXZNXUCIN-UHFFFAOYSA-N
XLogP1.79
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate
CID 134962892
3-(Furan-2-yl)-6-methoxypyridazine
CID 54387584
Methyl 6-(furan-2-yl)pyridazine-3-carboxylate
CID 58366220
6-(Furan-2-yl)pyridazine-3-carbaldehyde
CID 58366254
3,6-Bis(furan-2-yl)pyridazine
CID 59153712
methyl 5-(5-methyl-1H-pyrazol-3-yl)furan-2-carboxylate
CID 70901768
3-(Furan-2-yl)-6-methylpyridazine
CID 91537952
Ethyl 5-pyridazin-3-ylfuran-2-carboxylate
CID 118477529
6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N,N-dimethylpyridazin-3-amine
CID 10106718
5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole
CID 10954710
methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate
CID 11252979
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide
CID 41246640

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine?
The IUPAC name of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine (CID 10444682) is 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine.
What is the SMILES notation for 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine?
The canonical SMILES for 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine is COc1ccc(-c2ccc(C3OCCO3)o2)nn1.
What is the InChIKey of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine?
The InChIKey is BFAUYTXZNXUCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-15-11-5-2-8(13-14-11)9-3-4-10(18-9)12-16-6-7-17-12/h2-5,12H,6-7H2,1H3.
What are the key properties of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine?
3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine has a molecular weight of 248.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-6-methoxypyridazine is sourced from PubChem (CID 10444682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).