5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile

C14H15N5 — CID 36722480

IUPAC5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCCc2cccnc2)c(C#N)c1C
InChIInChI=1S/C14H15N5/c1-10-11(2)18-19-14(13(10)8-15)17-7-5-12-4-3-6-16-9-12/h3-4,6,9H,5,7H2,1-2H3,(H,17,19)
InChIKeyZSBQBAHYGMEWFH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.01
Rot. Bonds4

About 5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile (PubChem CID 36722480) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
PubChem CID36722480
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCCc2cccnc2)c(C#N)c1C
InChIInChI=1S/C14H15N5/c1-10-11(2)18-19-14(13(10)8-15)17-7-5-12-4-3-6-16-9-12/h3-4,6,9H,5,7H2,1-2H3,(H,17,19)
InChIKeyZSBQBAHYGMEWFH-UHFFFAOYSA-N
XLogP2.01
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535380
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535408
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36723585
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192
3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535514
5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile
CID 31536591
3-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78942067
2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine
CID 82239168
5-amino-6-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 103467700

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile (CID 36722480) is 5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile is Cc1nnc(NCCc2cccnc2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile?
The InChIKey is ZSBQBAHYGMEWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-11(2)18-19-14(13(10)8-15)17-7-5-12-4-3-6-16-9-12/h3-4,6,9H,5,7H2,1-2H3,(H,17,19).
What are the key properties of 5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(2-pyridin-3-ylethylamino)pyridazine-4-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.01, 4 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-pyridin-3-ylethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 36722480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).