1,6-dichlorophthalazine

C8H4Cl2N2 — CID 14322333

IUPAC1,6-dichlorophthalazine
SMILESClc1ccc2c(Cl)nncc2c1
InChIInChI=1S/C8H4Cl2N2/c9-6-1-2-7-5(3-6)4-11-12-8(7)10/h1-4H
InChIKeyLXAZDQHYBIRAMT-UHFFFAOYSA-N
MW199.04 g/mol
LogP2.94
Rot. Bonds

About 1,6-dichlorophthalazine

1,6-dichlorophthalazine (PubChem CID 14322333) has the molecular formula C8H4Cl2N2 and a molecular weight of 199.04 g/mol. Its IUPAC name is 1,6-dichlorophthalazine.

Molecular Properties

Compound Name1,6-dichlorophthalazine
PubChem CID14322333
Molecular FormulaC8H4Cl2N2
Molecular Weight199.04 g/mol
Exact Mass197.98
IUPAC Name1,6-dichlorophthalazine
SMILESClc1ccc2c(Cl)nncc2c1
InChIInChI=1S/C8H4Cl2N2/c9-6-1-2-7-5(3-6)4-11-12-8(7)10/h1-4H
InChIKeyLXAZDQHYBIRAMT-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 1,6-dichlorophthalazine?
The IUPAC name of 1,6-dichlorophthalazine (CID 14322333) is 1,6-dichlorophthalazine.
What is the SMILES notation for 1,6-dichlorophthalazine?
The canonical SMILES for 1,6-dichlorophthalazine is Clc1ccc2c(Cl)nncc2c1.
What is the InChIKey of 1,6-dichlorophthalazine?
The InChIKey is LXAZDQHYBIRAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2/c9-6-1-2-7-5(3-6)4-11-12-8(7)10/h1-4H.
What are the key properties of 1,6-dichlorophthalazine?
1,6-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 1,6-dichlorophthalazine is sourced from PubChem (CID 14322333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).