3-piperazin-1-yl-6-pyrazol-1-ylpyridazine

C11H14N6 — CID 39870750

IUPAC3-piperazin-1-yl-6-pyrazol-1-ylpyridazine
SMILESc1cnn(-c2ccc(N3CCNCC3)nn2)c1
InChIInChI=1S/C11H14N6/c1-4-13-17(7-1)11-3-2-10(14-15-11)16-8-5-12-6-9-16/h1-4,7,12H,5-6,8-9H2
InChIKeyDFTUYOPODMVFML-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.07
Rot. Bonds2

About 3-piperazin-1-yl-6-pyrazol-1-ylpyridazine

3-piperazin-1-yl-6-pyrazol-1-ylpyridazine (PubChem CID 39870750) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 3-piperazin-1-yl-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-piperazin-1-yl-6-pyrazol-1-ylpyridazine
PubChem CID39870750
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name3-piperazin-1-yl-6-pyrazol-1-ylpyridazine
SMILESc1cnn(-c2ccc(N3CCNCC3)nn2)c1
InChIInChI=1S/C11H14N6/c1-4-13-17(7-1)11-3-2-10(14-15-11)16-8-5-12-6-9-16/h1-4,7,12H,5-6,8-9H2
InChIKeyDFTUYOPODMVFML-UHFFFAOYSA-N
XLogP0.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-piperazin-1-yl-6-pyrazol-1-ylpyridazine (CID 39870750) is 3-piperazin-1-yl-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-piperazin-1-yl-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-piperazin-1-yl-6-pyrazol-1-ylpyridazine is c1cnn(-c2ccc(N3CCNCC3)nn2)c1.
What is the InChIKey of 3-piperazin-1-yl-6-pyrazol-1-ylpyridazine?
The InChIKey is DFTUYOPODMVFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-4-13-17(7-1)11-3-2-10(14-15-11)16-8-5-12-6-9-16/h1-4,7,12H,5-6,8-9H2.
What are the key properties of 3-piperazin-1-yl-6-pyrazol-1-ylpyridazine?
3-piperazin-1-yl-6-pyrazol-1-ylpyridazine has a molecular weight of 230.28 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 39870750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).