phthalazine;piperazine

C12H16N4 — CID 160532131

IUPACphthalazine;piperazine
SMILESC1CNCCN1.c1ccc2cnncc2c1
InChIInChI=1S/C8H6N2.C4H10N2/c1-2-4-8-6-10-9-5-7(8)3-1;1-2-6-4-3-5-1/h1-6H;5-6H,1-4H2
InChIKeyQVRLQQSHDHUWAV-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.81
Rot. Bonds

About phthalazine;piperazine

phthalazine;piperazine (PubChem CID 160532131) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is phthalazine;piperazine.

Molecular Properties

Compound Namephthalazine;piperazine
PubChem CID160532131
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Namephthalazine;piperazine
SMILESC1CNCCN1.c1ccc2cnncc2c1
InChIInChI=1S/C8H6N2.C4H10N2/c1-2-4-8-6-10-9-5-7(8)3-1;1-2-6-4-3-5-1/h1-6H;5-6H,1-4H2
InChIKeyQVRLQQSHDHUWAV-UHFFFAOYSA-N
XLogP0.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phthalazine;piperazine?
The IUPAC name of phthalazine;piperazine (CID 160532131) is phthalazine;piperazine.
What is the SMILES notation for phthalazine;piperazine?
The canonical SMILES for phthalazine;piperazine is C1CNCCN1.c1ccc2cnncc2c1.
What is the InChIKey of phthalazine;piperazine?
The InChIKey is QVRLQQSHDHUWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C4H10N2/c1-2-4-8-6-10-9-5-7(8)3-1;1-2-6-4-3-5-1/h1-6H;5-6H,1-4H2.
What are the key properties of phthalazine;piperazine?
phthalazine;piperazine has a molecular weight of 216.29 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phthalazine;piperazine is sourced from PubChem (CID 160532131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).