5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine

C25H23N5 — CID 6409933

IUPAC5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine
SMILESc1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H23N5/c1-4-10-20(11-5-1)23-24(21-12-6-2-7-13-21)27-28-25(26-23)30-18-16-29(17-19-30)22-14-8-3-9-15-22/h1-15H,16-19H2
InChIKeyYYIDLQAYBASNCB-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.53
Rot. Bonds4

About 5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine

5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 6409933) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine
PubChem CID6409933
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC Name5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine
SMILESc1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H23N5/c1-4-10-20(11-5-1)23-24(21-12-6-2-7-13-21)27-28-25(26-23)30-18-16-29(17-19-30)22-14-8-3-9-15-22/h1-15H,16-19H2
InChIKeyYYIDLQAYBASNCB-UHFFFAOYSA-N
XLogP4.53
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Diphenyl-1,2,4-triazin-3-amine
CID 78268
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
6-(2,6-Dimethylpyridin-4-Yl)-5-Phenyl-1,2,4-Triazin-3-Amine
CID 56844240
6-(2,6-Dimethyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 67364057
3-Chloro-5,6-diphenyl-1,2,4-triazine
CID 288439
2,4-Bis(5,6-diphenyl-1,2,4-triazine-3-yl)pyridine
CID 118779
2,3,6-Triphenylimidazo[1,2-b][1,2,4]triazine
CID 702952
4-(5,6-Diphenyl-1,2,4-triazin-3-yl)morpholine
CID 2842253
5-Phenyl-3-(piperidin-1-yl)-1,2,4-triazine
CID 6400923
N-benzyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404644
5,6-Diphenyl-3-pyridin-4-yl-1,2,4-triazine
CID 6409328
N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
CID 46742353

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine (CID 6409933) is 5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine is c1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is YYIDLQAYBASNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-4-10-20(11-5-1)23-24(21-12-6-2-7-13-21)27-28-25(26-23)30-18-16-29(17-19-30)22-14-8-3-9-15-22/h1-15H,16-19H2.
What are the key properties of 5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine?
5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 393.49 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 6409933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).