3-piperidin-4-yl-6-propylpyridazine;hydrochloride

C12H20ClN3 — CID 121398830

IUPAC3-piperidin-4-yl-6-propylpyridazine;hydrochloride
SMILESCCCc1ccc(C2CCNCC2)nn1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-2-3-11-4-5-12(15-14-11)10-6-8-13-9-7-10;/h4-5,10,13H,2-3,6-9H2,1H3;1H
InChIKeyPRSRBASXRFVUGO-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.32
Rot. Bonds3

About 3-piperidin-4-yl-6-propylpyridazine;hydrochloride

3-piperidin-4-yl-6-propylpyridazine;hydrochloride (PubChem CID 121398830) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 3-piperidin-4-yl-6-propylpyridazine;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-6-propylpyridazine;hydrochloride
PubChem CID121398830
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name3-piperidin-4-yl-6-propylpyridazine;hydrochloride
SMILESCCCc1ccc(C2CCNCC2)nn1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-2-3-11-4-5-12(15-14-11)10-6-8-13-9-7-10;/h4-5,10,13H,2-3,6-9H2,1H3;1H
InChIKeyPRSRBASXRFVUGO-UHFFFAOYSA-N
XLogP2.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-6-propylpyridazine;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-6-propylpyridazine;hydrochloride (CID 121398830) is 3-piperidin-4-yl-6-propylpyridazine;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-6-propylpyridazine;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-6-propylpyridazine;hydrochloride is CCCc1ccc(C2CCNCC2)nn1.Cl.
What is the InChIKey of 3-piperidin-4-yl-6-propylpyridazine;hydrochloride?
The InChIKey is PRSRBASXRFVUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.ClH/c1-2-3-11-4-5-12(15-14-11)10-6-8-13-9-7-10;/h4-5,10,13H,2-3,6-9H2,1H3;1H.
What are the key properties of 3-piperidin-4-yl-6-propylpyridazine;hydrochloride?
3-piperidin-4-yl-6-propylpyridazine;hydrochloride has a molecular weight of 241.77 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-6-propylpyridazine;hydrochloride is sourced from PubChem (CID 121398830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).