5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile

C16H25N5O — CID 51079462

IUPAC5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile
SMILESCCC(C)(CNc1nnc(C)c(C)c1C#N)N1CCOCC1
InChIInChI=1S/C16H25N5O/c1-5-16(4,21-6-8-22-9-7-21)11-18-15-14(10-17)12(2)13(3)19-20-15/h5-9,11H2,1-4H3,(H,18,20)
InChIKeyKNNYBWAVVSWTJQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.88
Rot. Bonds5

About 5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile (PubChem CID 51079462) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile
PubChem CID51079462
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile
SMILESCCC(C)(CNc1nnc(C)c(C)c1C#N)N1CCOCC1
InChIInChI=1S/C16H25N5O/c1-5-16(4,21-6-8-22-9-7-21)11-18-15-14(10-17)12(2)13(3)19-20-15/h5-9,11H2,1-4H3,(H,18,20)
InChIKeyKNNYBWAVVSWTJQ-UHFFFAOYSA-N
XLogP1.88
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile (CID 51079462) is 5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile is CCC(C)(CNc1nnc(C)c(C)c1C#N)N1CCOCC1.
What is the InChIKey of 5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile?
The InChIKey is KNNYBWAVVSWTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-5-16(4,21-6-8-22-9-7-21)11-18-15-14(10-17)12(2)13(3)19-20-15/h5-9,11H2,1-4H3,(H,18,20).
What are the key properties of 5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile has a molecular weight of 303.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(2-methyl-2-morpholin-4-ylbutyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 51079462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).