3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine

C17H22N4 — CID 15124613

IUPAC3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine
SMILESc1ccc(CCCN2CCN(c3cccnn3)CC2)cc1
InChIInChI=1S/C17H22N4/c1-2-6-16(7-3-1)8-5-11-20-12-14-21(15-13-20)17-9-4-10-18-19-17/h1-4,6-7,9-10H,5,8,11-15H2
InChIKeyORDSWYBPSSTGFZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.23
Rot. Bonds5

About 3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine

3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine (PubChem CID 15124613) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine
PubChem CID15124613
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine
SMILESc1ccc(CCCN2CCN(c3cccnn3)CC2)cc1
InChIInChI=1S/C17H22N4/c1-2-6-16(7-3-1)8-5-11-20-12-14-21(15-13-20)17-9-4-10-18-19-17/h1-4,6-7,9-10H,5,8,11-15H2
InChIKeyORDSWYBPSSTGFZ-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
CID 59867414
CID 46891461
CID 46891461
Lorcinadol
CID 6436126
(3H)A-585539
CID 23643135
N-(3-phenyl-2-propen-1-ylidene)-4-(2-pyridinyl)-1-piperazinamine
CID 6861869
4-(4-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
CID 9906556
3-(4-Methylpiperazin-1-yl)-6-phenylpyridazine
CID 10354969
(1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462089
4-(5-Methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
CID 44396146
N-methyl-6-phenyl-N-propyl-5-(pyridin-4-yl)pyridazin-3-amine
CID 121317299
N, N-diethyl-6-phenyl-5-(pyridin-4-yl)pyridazin-3-amine
CID 131747632
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyridazin-3-ylpiperidin-4-yl)methanone
CID 134521326

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine (CID 15124613) is 3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine is c1ccc(CCCN2CCN(c3cccnn3)CC2)cc1.
What is the InChIKey of 3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine?
The InChIKey is ORDSWYBPSSTGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-6-16(7-3-1)8-5-11-20-12-14-21(15-13-20)17-9-4-10-18-19-17/h1-4,6-7,9-10H,5,8,11-15H2.
What are the key properties of 3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine?
3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine has a molecular weight of 282.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 15124613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).