6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C18H20N10 — CID 133281338

IUPAC6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(C)n(-c2cncc(N3CCN(c4ccc5nncn5n4)CC3)n2)n1
InChIInChI=1S/C18H20N10/c1-13-9-14(2)28(23-13)18-11-19-10-17(21-18)26-7-5-25(6-8-26)16-4-3-15-22-20-12-27(15)24-16/h3-4,9-12H,5-8H2,1-2H3
InChIKeyVJCUPHKAQQKNJN-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.04
Rot. Bonds3

About 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133281338) has the molecular formula C18H20N10 and a molecular weight of 376.43 g/mol. Its IUPAC name is 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133281338
Molecular FormulaC18H20N10
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(C)n(-c2cncc(N3CCN(c4ccc5nncn5n4)CC3)n2)n1
InChIInChI=1S/C18H20N10/c1-13-9-14(2)28(23-13)18-11-19-10-17(21-18)26-7-5-25(6-8-26)16-4-3-15-22-20-12-27(15)24-16/h3-4,9-12H,5-8H2,1-2H3
InChIKeyVJCUPHKAQQKNJN-UHFFFAOYSA-N
XLogP1.04
TPSA93.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 133281338) is 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(C)n(-c2cncc(N3CCN(c4ccc5nncn5n4)CC3)n2)n1.
What is the InChIKey of 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VJCUPHKAQQKNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N10/c1-13-9-14(2)28(23-13)18-11-19-10-17(21-18)26-7-5-25(6-8-26)16-4-3-15-22-20-12-27(15)24-16/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 376.43 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133281338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).