3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine

C20H20BrN5 — CID 6402465

IUPAC3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine
SMILESCN1CCN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccccc2)CC1
InChIInChI=1S/C20H20BrN5/c1-25-11-13-26(14-12-25)20-18(15-5-3-2-4-6-15)23-24-19(22-20)16-7-9-17(21)10-8-16/h2-10H,11-14H2,1H3
InChIKeyWRPDQUCFOSSPJS-UHFFFAOYSA-N
MW410.32 g/mol
LogP3.72
Rot. Bonds3

About 3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine

3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine (PubChem CID 6402465) has the molecular formula C20H20BrN5 and a molecular weight of 410.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine
PubChem CID6402465
Molecular FormulaC20H20BrN5
Molecular Weight410.32 g/mol
Exact Mass409.09
IUPAC Name3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine
SMILESCN1CCN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccccc2)CC1
InChIInChI=1S/C20H20BrN5/c1-25-11-13-26(14-12-25)20-18(15-5-3-2-4-6-15)23-24-19(22-20)16-7-9-17(21)10-8-16/h2-10H,11-14H2,1H3
InChIKeyWRPDQUCFOSSPJS-UHFFFAOYSA-N
XLogP3.72
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine?
The IUPAC name of 3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine (CID 6402465) is 3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine.
What is the SMILES notation for 3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine?
The canonical SMILES for 3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine is CN1CCN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccccc2)CC1.
What is the InChIKey of 3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine?
The InChIKey is WRPDQUCFOSSPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5/c1-25-11-13-26(14-12-25)20-18(15-5-3-2-4-6-15)23-24-19(22-20)16-7-9-17(21)10-8-16/h2-10H,11-14H2,1H3.
What are the key properties of 3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine?
3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine has a molecular weight of 410.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(4-methylpiperazin-1-yl)-6-phenyl-1,2,4-triazine is sourced from PubChem (CID 6402465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).