1,8-dichlorophthalazine

C8H4Cl2N2 — CID 53407086

IUPAC1,8-dichlorophthalazine
SMILESClc1cccc2cnnc(Cl)c12
InChIInChI=1S/C8H4Cl2N2/c9-6-3-1-2-5-4-11-12-8(10)7(5)6/h1-4H
InChIKeyBXZKGECTSQRDDP-UHFFFAOYSA-N
MW199.04 g/mol
LogP2.94
Rot. Bonds

About 1,8-dichlorophthalazine

1,8-dichlorophthalazine (PubChem CID 53407086) has the molecular formula C8H4Cl2N2 and a molecular weight of 199.04 g/mol. Its IUPAC name is 1,8-dichlorophthalazine.

Molecular Properties

Compound Name1,8-dichlorophthalazine
PubChem CID53407086
Molecular FormulaC8H4Cl2N2
Molecular Weight199.04 g/mol
Exact Mass197.98
IUPAC Name1,8-dichlorophthalazine
SMILESClc1cccc2cnnc(Cl)c12
InChIInChI=1S/C8H4Cl2N2/c9-6-3-1-2-5-4-11-12-8(10)7(5)6/h1-4H
InChIKeyBXZKGECTSQRDDP-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dichlorophthalazine?
The IUPAC name of 1,8-dichlorophthalazine (CID 53407086) is 1,8-dichlorophthalazine.
What is the SMILES notation for 1,8-dichlorophthalazine?
The canonical SMILES for 1,8-dichlorophthalazine is Clc1cccc2cnnc(Cl)c12.
What is the InChIKey of 1,8-dichlorophthalazine?
The InChIKey is BXZKGECTSQRDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2/c9-6-3-1-2-5-4-11-12-8(10)7(5)6/h1-4H.
What are the key properties of 1,8-dichlorophthalazine?
1,8-dichlorophthalazine has a molecular weight of 199.04 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichlorophthalazine is sourced from PubChem (CID 53407086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).