5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile

C13H21N5 — CID 62639917

IUPAC5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCN(C)C(C)C)c(C#N)c1C
InChIInChI=1S/C13H21N5/c1-9(2)18(5)7-6-15-13-12(8-14)10(3)11(4)16-17-13/h9H,6-7H2,1-5H3,(H,15,17)
InChIKeyLCAVHQAPMUOBIF-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.72
Rot. Bonds5

About 5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile (PubChem CID 62639917) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
PubChem CID62639917
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCN(C)C(C)C)c(C#N)c1C
InChIInChI=1S/C13H21N5/c1-9(2)18(5)7-6-15-13-12(8-14)10(3)11(4)16-17-13/h9H,6-7H2,1-5H3,(H,15,17)
InChIKeyLCAVHQAPMUOBIF-UHFFFAOYSA-N
XLogP1.72
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile (CID 62639917) is 5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile is Cc1nnc(NCCN(C)C(C)C)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile?
The InChIKey is LCAVHQAPMUOBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(2)18(5)7-6-15-13-12(8-14)10(3)11(4)16-17-13/h9H,6-7H2,1-5H3,(H,15,17).
What are the key properties of 5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile has a molecular weight of 247.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 62639917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).