2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine

C17H16Cl2N2 — CID 10710737

IUPAC2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine
SMILESClc1ccc(CN2CCCC(c3ccccc3)=N2)cc1Cl
InChIInChI=1S/C17H16Cl2N2/c18-15-9-8-13(11-16(15)19)12-21-10-4-7-17(20-21)14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12H2
InChIKeyGZNAJJDNARMWJF-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.99
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine

2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine (PubChem CID 10710737) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine
PubChem CID10710737
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine
SMILESClc1ccc(CN2CCCC(c3ccccc3)=N2)cc1Cl
InChIInChI=1S/C17H16Cl2N2/c18-15-9-8-13(11-16(15)19)12-21-10-4-7-17(20-21)14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12H2
InChIKeyGZNAJJDNARMWJF-UHFFFAOYSA-N
XLogP4.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-Dichlorothiobenzoyl)-3-phenyl-1,4,5,6-tetrahydropyridazine
CID 10360420
4-(4-Chlorobenzyl)-N-(1-(4-fluorophenyl)ethylidene)-1-piperazinamine
CID 7464662
4-(3,4-dichlorobenzyl)-1,2,3,4,5,6,7,8-octahydro-9H-cyclopenta[b]quinolin-9-imine
CID 3240640
4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine;hydrochloride
CID 6602959
N,N-Dibenzyl-N''-[1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazine
CID 9690663
2-(3,4-Dichloro-benzyl)-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 10759031
3-(3-Chlorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164427
{2-[5-(4-Chloro-phenyl)-1-methyl-3-phenyl-4,5-dihydro-1H-pyrazol-4-yl]-ethyl}-diethyl-amine
CID 10474282
5-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 46842919
2-(3,4-dichlorobenzyl)-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1471708
2-(3,4-dichlorobenzyl)-6-(4-methylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 5707553
N,N-Dibenzyl-N''-[1-(3,4-dichloro-phenyl)-meth-(E)-ylidene]-hydrazine
CID 9951194

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine (CID 10710737) is 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine is Clc1ccc(CN2CCCC(c3ccccc3)=N2)cc1Cl.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine?
The InChIKey is GZNAJJDNARMWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c18-15-9-8-13(11-16(15)19)12-21-10-4-7-17(20-21)14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine?
2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine has a molecular weight of 319.24 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-6-phenyl-4,5-dihydro-3H-pyridazine is sourced from PubChem (CID 10710737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).