4-piperidin-1-ylpyridazine

C9H13N3 — CID 45088768

IUPAC4-piperidin-1-ylpyridazine
SMILESc1cc(N2CCCCC2)cnn1
InChIInChI=1S/C9H13N3/c1-2-6-12(7-3-1)9-4-5-10-11-8-9/h4-5,8H,1-3,6-7H2
InChIKeyDGMOHLFLOOISRN-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.47
Rot. Bonds1

About 4-piperidin-1-ylpyridazine

4-piperidin-1-ylpyridazine (PubChem CID 45088768) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name4-piperidin-1-ylpyridazine
PubChem CID45088768
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-piperidin-1-ylpyridazine
SMILESc1cc(N2CCCCC2)cnn1
InChIInChI=1S/C9H13N3/c1-2-6-12(7-3-1)9-4-5-10-11-8-9/h4-5,8H,1-3,6-7H2
InChIKeyDGMOHLFLOOISRN-UHFFFAOYSA-N
XLogP1.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylpyridazine?
The IUPAC name of 4-piperidin-1-ylpyridazine (CID 45088768) is 4-piperidin-1-ylpyridazine.
What is the SMILES notation for 4-piperidin-1-ylpyridazine?
The canonical SMILES for 4-piperidin-1-ylpyridazine is c1cc(N2CCCCC2)cnn1.
What is the InChIKey of 4-piperidin-1-ylpyridazine?
The InChIKey is DGMOHLFLOOISRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-6-12(7-3-1)9-4-5-10-11-8-9/h4-5,8H,1-3,6-7H2.
What are the key properties of 4-piperidin-1-ylpyridazine?
4-piperidin-1-ylpyridazine has a molecular weight of 163.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylpyridazine is sourced from PubChem (CID 45088768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).