phthalazine;hydrochloride

C8H7ClN2 — CID 22712976

IUPACphthalazine;hydrochloride
SMILESCl.c1ccc2cnncc2c1
InChIInChI=1S/C8H6N2.ClH/c1-2-4-8-6-10-9-5-7(8)3-1;/h1-6H;1H
InChIKeyVVZNYMSMDNYBQQ-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.05
Rot. Bonds

About phthalazine;hydrochloride

phthalazine;hydrochloride (PubChem CID 22712976) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is phthalazine;hydrochloride.

Molecular Properties

Compound Namephthalazine;hydrochloride
PubChem CID22712976
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Namephthalazine;hydrochloride
SMILESCl.c1ccc2cnncc2c1
InChIInChI=1S/C8H6N2.ClH/c1-2-4-8-6-10-9-5-7(8)3-1;/h1-6H;1H
InChIKeyVVZNYMSMDNYBQQ-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phthalazine;hydrochloride?
The IUPAC name of phthalazine;hydrochloride (CID 22712976) is phthalazine;hydrochloride.
What is the SMILES notation for phthalazine;hydrochloride?
The canonical SMILES for phthalazine;hydrochloride is Cl.c1ccc2cnncc2c1.
What is the InChIKey of phthalazine;hydrochloride?
The InChIKey is VVZNYMSMDNYBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.ClH/c1-2-4-8-6-10-9-5-7(8)3-1;/h1-6H;1H.
What are the key properties of phthalazine;hydrochloride?
phthalazine;hydrochloride has a molecular weight of 166.61 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phthalazine;hydrochloride is sourced from PubChem (CID 22712976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).