1-piperazin-1-ylphthalazine

C12H14N4 — CID 14581396

IUPAC1-piperazin-1-ylphthalazine
SMILESc1ccc2c(N3CCNCC3)nncc2c1
InChIInChI=1S/C12H14N4/c1-2-4-11-10(3-1)9-14-15-12(11)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2
InChIKeyDZWBPVWZCQJMGW-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.04
Rot. Bonds1

About 1-piperazin-1-ylphthalazine

1-piperazin-1-ylphthalazine (PubChem CID 14581396) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-piperazin-1-ylphthalazine.

Molecular Properties

Compound Name1-piperazin-1-ylphthalazine
PubChem CID14581396
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-piperazin-1-ylphthalazine
SMILESc1ccc2c(N3CCNCC3)nncc2c1
InChIInChI=1S/C12H14N4/c1-2-4-11-10(3-1)9-14-15-12(11)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2
InChIKeyDZWBPVWZCQJMGW-UHFFFAOYSA-N
XLogP1.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylphthalazine?
The IUPAC name of 1-piperazin-1-ylphthalazine (CID 14581396) is 1-piperazin-1-ylphthalazine.
What is the SMILES notation for 1-piperazin-1-ylphthalazine?
The canonical SMILES for 1-piperazin-1-ylphthalazine is c1ccc2c(N3CCNCC3)nncc2c1.
What is the InChIKey of 1-piperazin-1-ylphthalazine?
The InChIKey is DZWBPVWZCQJMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-4-11-10(3-1)9-14-15-12(11)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2.
What are the key properties of 1-piperazin-1-ylphthalazine?
1-piperazin-1-ylphthalazine has a molecular weight of 214.27 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylphthalazine is sourced from PubChem (CID 14581396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).