benzyl-(4-chlorophthalazin-1-yl)diazene

C15H11ClN4 — CID 90963629

IUPACbenzyl-(4-chlorophthalazin-1-yl)diazene
SMILESClc1nnc(/N=N/Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H11ClN4/c16-14-12-8-4-5-9-13(12)15(20-18-14)19-17-10-11-6-2-1-3-7-11/h1-9H,10H2/b19-17+
InChIKeyMRMLNKFTCFWFPI-HTXNQAPBSA-N
MW282.73 g/mol
LogP4.57
Rot. Bonds3

About benzyl-(4-chlorophthalazin-1-yl)diazene

benzyl-(4-chlorophthalazin-1-yl)diazene (PubChem CID 90963629) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is benzyl-(4-chlorophthalazin-1-yl)diazene.

Molecular Properties

Compound Namebenzyl-(4-chlorophthalazin-1-yl)diazene
PubChem CID90963629
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Namebenzyl-(4-chlorophthalazin-1-yl)diazene
SMILESClc1nnc(/N=N/Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H11ClN4/c16-14-12-8-4-5-9-13(12)15(20-18-14)19-17-10-11-6-2-1-3-7-11/h1-9H,10H2/b19-17+
InChIKeyMRMLNKFTCFWFPI-HTXNQAPBSA-N
XLogP4.57
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

benzyl(quinazolin-4-yl)diazene
CID 91896863
benzyl-(4-chloro-2-methylphenyl)diazene
CID 54063455
1-chloro-4-methylphthalazine;ethane;propane
CID 169259366
chlorobenzene;4-chlorophthalazin-1-amine
CID 174421380
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
1-chloro-4-(methoxymethyl)phthalazine
CID 20794422
1-chloro-4-[(4-chlorophenyl)methylsulfanyl]phthalazine
CID 114790645
N-[(E)-benzylideneamino]-1-(4-chlorophthalazin-1-yl)methanamine
CID 20844873
4-chloro-N-ethyl-N-methylphthalazin-1-amine
CID 62141193
N-(benzyldiazenyl)-4-chloroaniline
CID 131860795
4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 60723090
[2-(4-methylphenyl)quinazolin-4-yl]-(pyridin-4-ylmethyl)diazene
CID 91896751

Frequently Asked Questions

What is the IUPAC name of benzyl-(4-chlorophthalazin-1-yl)diazene?
The IUPAC name of benzyl-(4-chlorophthalazin-1-yl)diazene (CID 90963629) is benzyl-(4-chlorophthalazin-1-yl)diazene.
What is the SMILES notation for benzyl-(4-chlorophthalazin-1-yl)diazene?
The canonical SMILES for benzyl-(4-chlorophthalazin-1-yl)diazene is Clc1nnc(/N=N/Cc2ccccc2)c2ccccc12.
What is the InChIKey of benzyl-(4-chlorophthalazin-1-yl)diazene?
The InChIKey is MRMLNKFTCFWFPI-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H11ClN4/c16-14-12-8-4-5-9-13(12)15(20-18-14)19-17-10-11-6-2-1-3-7-11/h1-9H,10H2/b19-17+.
What are the key properties of benzyl-(4-chlorophthalazin-1-yl)diazene?
benzyl-(4-chlorophthalazin-1-yl)diazene has a molecular weight of 282.73 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(4-chlorophthalazin-1-yl)diazene is sourced from PubChem (CID 90963629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).