6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile

C12H16N4 — CID 133418862

IUPAC6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile
SMILESCC1(C)CCCC1Nc1ccc(C#N)nn1
InChIInChI=1S/C12H16N4/c1-12(2)7-3-4-10(12)14-11-6-5-9(8-13)15-16-11/h5-6,10H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyCLBPUMFPWLUQBB-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.34
Rot. Bonds2

About 6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile

6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile (PubChem CID 133418862) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile
PubChem CID133418862
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile
SMILESCC1(C)CCCC1Nc1ccc(C#N)nn1
InChIInChI=1S/C12H16N4/c1-12(2)7-3-4-10(12)14-11-6-5-9(8-13)15-16-11/h5-6,10H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyCLBPUMFPWLUQBB-UHFFFAOYSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile (CID 133418862) is 6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile is CC1(C)CCCC1Nc1ccc(C#N)nn1.
What is the InChIKey of 6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile?
The InChIKey is CLBPUMFPWLUQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(2)7-3-4-10(12)14-11-6-5-9(8-13)15-16-11/h5-6,10H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of 6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile?
6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).