1-chlorophthalazine;hydrochloride

C8H6Cl2N2 — CID 22386464

IUPAC1-chlorophthalazine;hydrochloride
SMILESCl.Clc1nncc2ccccc12
InChIInChI=1S/C8H5ClN2.ClH/c9-8-7-4-2-1-3-6(7)5-10-11-8;/h1-5H;1H
InChIKeyVWXKUBPEUUXLPV-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.70
Rot. Bonds

About 1-chlorophthalazine;hydrochloride

1-chlorophthalazine;hydrochloride (PubChem CID 22386464) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 1-chlorophthalazine;hydrochloride.

Molecular Properties

Compound Name1-chlorophthalazine;hydrochloride
PubChem CID22386464
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name1-chlorophthalazine;hydrochloride
SMILESCl.Clc1nncc2ccccc12
InChIInChI=1S/C8H5ClN2.ClH/c9-8-7-4-2-1-3-6(7)5-10-11-8;/h1-5H;1H
InChIKeyVWXKUBPEUUXLPV-UHFFFAOYSA-N
XLogP2.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chlorophthalazine;hydrochloride?
The IUPAC name of 1-chlorophthalazine;hydrochloride (CID 22386464) is 1-chlorophthalazine;hydrochloride.
What is the SMILES notation for 1-chlorophthalazine;hydrochloride?
The canonical SMILES for 1-chlorophthalazine;hydrochloride is Cl.Clc1nncc2ccccc12.
What is the InChIKey of 1-chlorophthalazine;hydrochloride?
The InChIKey is VWXKUBPEUUXLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2.ClH/c9-8-7-4-2-1-3-6(7)5-10-11-8;/h1-5H;1H.
What are the key properties of 1-chlorophthalazine;hydrochloride?
1-chlorophthalazine;hydrochloride has a molecular weight of 201.06 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorophthalazine;hydrochloride is sourced from PubChem (CID 22386464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).