5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile

C13H18N4O2 — CID 133459266

IUPAC5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCC2(C)OCCO2)c(C#N)c1C
InChIInChI=1S/C13H18N4O2/c1-9-10(2)16-17-12(11(9)8-14)15-5-4-13(3)18-6-7-19-13/h4-7H2,1-3H3,(H,15,17)
InChIKeyHMBUVSVVOKLUHW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.53
Rot. Bonds4

About 5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 133459266) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile
PubChem CID133459266
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCC2(C)OCCO2)c(C#N)c1C
InChIInChI=1S/C13H18N4O2/c1-9-10(2)16-17-12(11(9)8-14)15-5-4-13(3)18-6-7-19-13/h4-7H2,1-3H3,(H,15,17)
InChIKeyHMBUVSVVOKLUHW-UHFFFAOYSA-N
XLogP1.53
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.53
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-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile (CID 133459266) is 5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile is Cc1nnc(NCCC2(C)OCCO2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is HMBUVSVVOKLUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-10(2)16-17-12(11(9)8-14)15-5-4-13(3)18-6-7-19-13/h4-7H2,1-3H3,(H,15,17).
What are the key properties of 5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 1.53, 4 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-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133459266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).