chlorobenzene;4-chlorophthalazin-1-amine

C14H11Cl2N3 — CID 174421380

IUPACchlorobenzene;4-chlorophthalazin-1-amine
SMILESClc1ccccc1.Nc1nnc(Cl)c2ccccc12
InChIInChI=1S/C8H6ClN3.C6H5Cl/c9-7-5-3-1-2-4-6(5)8(10)12-11-7;7-6-4-2-1-3-5-6/h1-4H,(H2,10,12);1-5H
InChIKeyHWPZZOKDGBIQFS-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.21
Rot. Bonds

About chlorobenzene;4-chlorophthalazin-1-amine

chlorobenzene;4-chlorophthalazin-1-amine (PubChem CID 174421380) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is chlorobenzene;4-chlorophthalazin-1-amine.

Molecular Properties

Compound Namechlorobenzene;4-chlorophthalazin-1-amine
PubChem CID174421380
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Namechlorobenzene;4-chlorophthalazin-1-amine
SMILESClc1ccccc1.Nc1nnc(Cl)c2ccccc12
InChIInChI=1S/C8H6ClN3.C6H5Cl/c9-7-5-3-1-2-4-6(5)8(10)12-11-7;7-6-4-2-1-3-5-6/h1-4H,(H2,10,12);1-5H
InChIKeyHWPZZOKDGBIQFS-UHFFFAOYSA-N
XLogP4.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze chlorobenzene;4-chlorophthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chlorobenzene;hydrazine
CID 69403092
benzene;chlorobenzene
CID 159657667
4-chloro-8-methylphthalazin-1-amine
CID 143437495
chlorobenzene;1,2-dichlorobenzene
CID 22250607
chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159
bismuthane;chlorobenzene
CID 174535973
1-chloro-4-methylisoquinolin-3-amine
CID 606022
1-chloro-4-[(4-chlorophenyl)methylsulfanyl]phthalazine
CID 114790645
magnesium;chlorobenzene;chloride
CID 22400294
potassium;chlorobenzene;hydride
CID 173115077
chlorobenzene;titanium(4+);tetrachloride
CID 173055118

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;4-chlorophthalazin-1-amine?
The IUPAC name of chlorobenzene;4-chlorophthalazin-1-amine (CID 174421380) is chlorobenzene;4-chlorophthalazin-1-amine.
What is the SMILES notation for chlorobenzene;4-chlorophthalazin-1-amine?
The canonical SMILES for chlorobenzene;4-chlorophthalazin-1-amine is Clc1ccccc1.Nc1nnc(Cl)c2ccccc12.
What is the InChIKey of chlorobenzene;4-chlorophthalazin-1-amine?
The InChIKey is HWPZZOKDGBIQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3.C6H5Cl/c9-7-5-3-1-2-4-6(5)8(10)12-11-7;7-6-4-2-1-3-5-6/h1-4H,(H2,10,12);1-5H.
What are the key properties of chlorobenzene;4-chlorophthalazin-1-amine?
chlorobenzene;4-chlorophthalazin-1-amine has a molecular weight of 292.17 g/mol, XLogP of 4.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;4-chlorophthalazin-1-amine is sourced from PubChem (CID 174421380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).