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

C12H14N6 — CID 153344668

IUPAC3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nn(-c2ccc3nnc(C)n3n2)c(C)c1C
InChIInChI=1S/C12H14N6/c1-7-8(2)15-17(9(7)3)12-6-5-11-14-13-10(4)18(11)16-12/h5-6H,1-4H3
InChIKeyJPRSAXIYUPQIGB-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.54
Rot. Bonds1

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

3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 153344668) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID153344668
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nn(-c2ccc3nnc(C)n3n2)c(C)c1C
InChIInChI=1S/C12H14N6/c1-7-8(2)15-17(9(7)3)12-6-5-11-14-13-10(4)18(11)16-12/h5-6H,1-4H3
InChIKeyJPRSAXIYUPQIGB-UHFFFAOYSA-N
XLogP1.54
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 153344668) is 3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nn(-c2ccc3nnc(C)n3n2)c(C)c1C.
What is the InChIKey of 3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JPRSAXIYUPQIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-7-8(2)15-17(9(7)3)12-6-5-11-14-13-10(4)18(11)16-12/h5-6H,1-4H3.
What are the key properties of 3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 242.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 153344668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).