3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile

C12H12N4O — CID 47282315

IUPAC3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCc2ccoc2)c(C#N)c1C
InChIInChI=1S/C12H12N4O/c1-8-9(2)15-16-12(11(8)5-13)14-6-10-3-4-17-7-10/h3-4,7H,6H2,1-2H3,(H,14,16)
InChIKeyZLQDFDSOJZHMPF-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.17
Rot. Bonds3

About 3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile

3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 47282315) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID47282315
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCc2ccoc2)c(C#N)c1C
InChIInChI=1S/C12H12N4O/c1-8-9(2)15-16-12(11(8)5-13)14-6-10-3-4-17-7-10/h3-4,7H,6H2,1-2H3,(H,14,16)
InChIKeyZLQDFDSOJZHMPF-UHFFFAOYSA-N
XLogP2.17
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile (CID 47282315) is 3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NCc2ccoc2)c(C#N)c1C.
What is the InChIKey of 3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is ZLQDFDSOJZHMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-9(2)15-16-12(11(8)5-13)14-6-10-3-4-17-7-10/h3-4,7H,6H2,1-2H3,(H,14,16).
What are the key properties of 3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 47282315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).