3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C13H16N6 — CID 153344675

IUPAC3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(-n3nc(C)c(C)c3C)nn12
InChIInChI=1S/C13H16N6/c1-5-11-14-15-12-6-7-13(17-19(11)12)18-10(4)8(2)9(3)16-18/h6-7H,5H2,1-4H3
InChIKeyFPQDFADZTAKQJH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.80
Rot. Bonds2

About 3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 153344675) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID153344675
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(-n3nc(C)c(C)c3C)nn12
InChIInChI=1S/C13H16N6/c1-5-11-14-15-12-6-7-13(17-19(11)12)18-10(4)8(2)9(3)16-18/h6-7H,5H2,1-4H3
InChIKeyFPQDFADZTAKQJH-UHFFFAOYSA-N
XLogP1.80
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-Dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 909959
6-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 702232
3-Tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134138909
6-(3,5-Dimethylpyrazol-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134137918
2-Methyl-7-phenyl-4-propylpyrazolo[1,5-a][1,3,5]triazine
CID 12913973
3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-5-amine
CID 16767484
7-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4908770
2,5,6,7-Tetramethylpyrazolo[1,5-a]pyrimidine
CID 763536
7-(3,5-dimethyl-1H-pyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3823661
2,4-Diethyl-7-phenylpyrazolo[1,5-a][1,3,5]triazine
CID 12916095
5-Methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 53330826
2-(3,5-Dimethylpyrazol-1-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 56673919

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 153344675) is 3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CCc1nnc2ccc(-n3nc(C)c(C)c3C)nn12.
What is the InChIKey of 3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FPQDFADZTAKQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-5-11-14-15-12-6-7-13(17-19(11)12)18-10(4)8(2)9(3)16-18/h6-7H,5H2,1-4H3.
What are the key properties of 3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 256.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 153344675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).