3-piperidin-1-yl-6-pyrazol-1-ylpyridazine

C12H15N5 — CID 91541237

IUPAC3-piperidin-1-yl-6-pyrazol-1-ylpyridazine
SMILESc1cnn(-c2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C12H15N5/c1-2-8-16(9-3-1)11-5-6-12(15-14-11)17-10-4-7-13-17/h4-7,10H,1-3,8-9H2
InChIKeyRXWGIBPADOQGMO-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.65
Rot. Bonds2

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

3-piperidin-1-yl-6-pyrazol-1-ylpyridazine (PubChem CID 91541237) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 3-piperidin-1-yl-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-piperidin-1-yl-6-pyrazol-1-ylpyridazine
PubChem CID91541237
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name3-piperidin-1-yl-6-pyrazol-1-ylpyridazine
SMILESc1cnn(-c2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C12H15N5/c1-2-8-16(9-3-1)11-5-6-12(15-14-11)17-10-4-7-13-17/h4-7,10H,1-3,8-9H2
InChIKeyRXWGIBPADOQGMO-UHFFFAOYSA-N
XLogP1.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-piperidin-1-yl-6-pyrazol-1-ylpyridazine (CID 91541237) is 3-piperidin-1-yl-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-piperidin-1-yl-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-piperidin-1-yl-6-pyrazol-1-ylpyridazine is c1cnn(-c2ccc(N3CCCCC3)nn2)c1.
What is the InChIKey of 3-piperidin-1-yl-6-pyrazol-1-ylpyridazine?
The InChIKey is RXWGIBPADOQGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-8-16(9-3-1)11-5-6-12(15-14-11)17-10-4-7-13-17/h4-7,10H,1-3,8-9H2.
What are the key properties of 3-piperidin-1-yl-6-pyrazol-1-ylpyridazine?
3-piperidin-1-yl-6-pyrazol-1-ylpyridazine has a molecular weight of 229.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 91541237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).