5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile

C15H15N7 — CID 31536591

IUPAC5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCc2nnc3ccccn23)c(C#N)c1C
InChIInChI=1S/C15H15N7/c1-10-11(2)18-21-15(12(10)9-16)17-7-6-14-20-19-13-5-3-4-8-22(13)14/h3-5,8H,6-7H2,1-2H3,(H,17,21)
InChIKeyLLMBXVFHZHZAGR-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.66
Rot. Bonds4

About 5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 31536591) has the molecular formula C15H15N7 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile
PubChem CID31536591
Molecular FormulaC15H15N7
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCc2nnc3ccccn23)c(C#N)c1C
InChIInChI=1S/C15H15N7/c1-10-11(2)18-21-15(12(10)9-16)17-7-6-14-20-19-13-5-3-4-8-22(13)14/h3-5,8H,6-7H2,1-2H3,(H,17,21)
InChIKeyLLMBXVFHZHZAGR-UHFFFAOYSA-N
XLogP1.66
TPSA91.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile with MolForge

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Related Compounds

5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535380
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535408
2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]benzonitrile
CID 103605630
3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 47282315
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 18277477
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36723585
3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 167799475
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 43203669
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
1-(4-iodophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768195

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile (CID 31536591) is 5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile is Cc1nnc(NCCc2nnc3ccccn23)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is LLMBXVFHZHZAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7/c1-10-11(2)18-21-15(12(10)9-16)17-7-6-14-20-19-13-5-3-4-8-22(13)14/h3-5,8H,6-7H2,1-2H3,(H,17,21).
What are the key properties of 5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 31536591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).