3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile

C16H25N5 — CID 105417878

IUPAC3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2(N(C)C)CCC2)c(C#N)c1CC
InChIInChI=1S/C16H25N5/c1-5-12-13(10-17)15(20-19-14(12)6-2)18-11-16(21(3)4)8-7-9-16/h5-9,11H2,1-4H3,(H,18,20)
InChIKeyZKLHAGDLGWUNNW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.37
Rot. Bonds6

About 3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile

3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 105417878) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID105417878
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2(N(C)C)CCC2)c(C#N)c1CC
InChIInChI=1S/C16H25N5/c1-5-12-13(10-17)15(20-19-14(12)6-2)18-11-16(21(3)4)8-7-9-16/h5-9,11H2,1-4H3,(H,18,20)
InChIKeyZKLHAGDLGWUNNW-UHFFFAOYSA-N
XLogP2.37
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile (CID 105417878) is 3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NCC2(N(C)C)CCC2)c(C#N)c1CC.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is ZKLHAGDLGWUNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-5-12-13(10-17)15(20-19-14(12)6-2)18-11-16(21(3)4)8-7-9-16/h5-9,11H2,1-4H3,(H,18,20).
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile?
3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 105417878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).