6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine

C9H8ClN3O2 — CID 117126994

IUPAC6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine
SMILESCOc1nnc(-c2ccc(Cl)o2)cc1N
InChIInChI=1S/C9H8ClN3O2/c1-14-9-5(11)4-6(12-13-9)7-2-3-8(10)15-7/h2-4H,1H3,(H2,11,12)
InChIKeyWQVDFEFMENOYAE-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.98
Rot. Bonds2

About 6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine

6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine (PubChem CID 117126994) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine.

Molecular Properties

Compound Name6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine
PubChem CID117126994
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine
SMILESCOc1nnc(-c2ccc(Cl)o2)cc1N
InChIInChI=1S/C9H8ClN3O2/c1-14-9-5(11)4-6(12-13-9)7-2-3-8(10)15-7/h2-4H,1H3,(H2,11,12)
InChIKeyWQVDFEFMENOYAE-UHFFFAOYSA-N
XLogP1.98
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine?
The IUPAC name of 6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine (CID 117126994) is 6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine.
What is the SMILES notation for 6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine?
The canonical SMILES for 6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine is COc1nnc(-c2ccc(Cl)o2)cc1N.
What is the InChIKey of 6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine?
The InChIKey is WQVDFEFMENOYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-14-9-5(11)4-6(12-13-9)7-2-3-8(10)15-7/h2-4H,1H3,(H2,11,12).
What are the key properties of 6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine?
6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine has a molecular weight of 225.64 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorofuran-2-yl)-3-methoxypyridazin-4-amine is sourced from PubChem (CID 117126994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).