3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine

C18H21ClN4 — CID 159243301

IUPAC3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine
SMILESCC1CN(CC=Cc2ccccc2)CCN1c1ccc(Cl)nn1
InChIInChI=1S/C18H21ClN4/c1-15-14-22(11-5-8-16-6-3-2-4-7-16)12-13-23(15)18-10-9-17(19)20-21-18/h2-10,15H,11-14H2,1H3
InChIKeyNBHPMVPSEBQXEA-UHFFFAOYSA-N
MW328.85 g/mol
LogP3.35
Rot. Bonds4

About 3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine

3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine (PubChem CID 159243301) has the molecular formula C18H21ClN4 and a molecular weight of 328.85 g/mol. Its IUPAC name is 3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine
PubChem CID159243301
Molecular FormulaC18H21ClN4
Molecular Weight328.85 g/mol
Exact Mass328.15
IUPAC Name3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine
SMILESCC1CN(CC=Cc2ccccc2)CCN1c1ccc(Cl)nn1
InChIInChI=1S/C18H21ClN4/c1-15-14-22(11-5-8-16-6-3-2-4-7-16)12-13-23(15)18-10-9-17(19)20-21-18/h2-10,15H,11-14H2,1H3
InChIKeyNBHPMVPSEBQXEA-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
2-methyl-4-(3-phenylprop-2-enyl)morpholine
CID 165349535
1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 56800369
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
2,2,3,3,4,4,4-heptadeuterio-1-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 171370335
1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one
CID 68799670
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 171148555
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 146079974
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine (CID 159243301) is 3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine is CC1CN(CC=Cc2ccccc2)CCN1c1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine?
The InChIKey is NBHPMVPSEBQXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4/c1-15-14-22(11-5-8-16-6-3-2-4-7-16)12-13-23(15)18-10-9-17(19)20-21-18/h2-10,15H,11-14H2,1H3.
What are the key properties of 3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine?
3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine has a molecular weight of 328.85 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-methyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 159243301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).