5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile

C16H19N7 — CID 71933059

IUPAC5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC2CCCN(c3cccnn3)C2)c(C#N)c1C
InChIInChI=1S/C16H19N7/c1-11-12(2)20-22-16(14(11)9-17)19-13-5-4-8-23(10-13)15-6-3-7-18-21-15/h3,6-7,13H,4-5,8,10H2,1-2H3,(H,19,22)
InChIKeyGZTOKFKJNROYNZ-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.84
Rot. Bonds3

About 5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile (PubChem CID 71933059) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile
PubChem CID71933059
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC2CCCN(c3cccnn3)C2)c(C#N)c1C
InChIInChI=1S/C16H19N7/c1-11-12(2)20-22-16(14(11)9-17)19-13-5-4-8-23(10-13)15-6-3-7-18-21-15/h3,6-7,13H,4-5,8,10H2,1-2H3,(H,19,22)
InChIKeyGZTOKFKJNROYNZ-UHFFFAOYSA-N
XLogP1.84
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile (CID 71933059) is 5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile is Cc1nnc(NC2CCCN(c3cccnn3)C2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is GZTOKFKJNROYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-11-12(2)20-22-16(14(11)9-17)19-13-5-4-8-23(10-13)15-6-3-7-18-21-15/h3,6-7,13H,4-5,8,10H2,1-2H3,(H,19,22).
What are the key properties of 5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 309.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 71933059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).