6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine

C19H18N6 — CID 35181905

IUPAC6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1ccc(N2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1
InChIInChI=1S/C19H18N6/c1-2-6-15(7-3-1)23-10-12-24(13-11-23)19-17-9-5-4-8-16(17)18-21-20-14-25(18)22-19/h1-9,14H,10-13H2
InChIKeyPLFXTEOZCHAFPB-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.60
Rot. Bonds2

About 6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine

6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 35181905) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID35181905
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1ccc(N2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1
InChIInChI=1S/C19H18N6/c1-2-6-15(7-3-1)23-10-12-24(13-11-23)19-17-9-5-4-8-16(17)18-21-20-14-25(18)22-19/h1-9,14H,10-13H2
InChIKeyPLFXTEOZCHAFPB-UHFFFAOYSA-N
XLogP2.60
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine (CID 35181905) is 6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine is c1ccc(N2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is PLFXTEOZCHAFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-2-6-15(7-3-1)23-10-12-24(13-11-23)19-17-9-5-4-8-16(17)18-21-20-14-25(18)22-19/h1-9,14H,10-13H2.
What are the key properties of 6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine?
6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 330.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 35181905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).