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

C20H21N5 — CID 6409930

IUPAC3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine
SMILESCN1CCN(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H21N5/c1-24-12-14-25(15-13-24)20-21-18(16-8-4-2-5-9-16)19(22-23-20)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyCVAIPXBVEALUAU-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.96
Rot. Bonds3

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

3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine (PubChem CID 6409930) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine
PubChem CID6409930
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine
SMILESCN1CCN(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H21N5/c1-24-12-14-25(15-13-24)20-21-18(16-8-4-2-5-9-16)19(22-23-20)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyCVAIPXBVEALUAU-UHFFFAOYSA-N
XLogP2.96
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine (CID 6409930) is 3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine is CN1CCN(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine?
The InChIKey is CVAIPXBVEALUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-24-12-14-25(15-13-24)20-21-18(16-8-4-2-5-9-16)19(22-23-20)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine?
3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine has a molecular weight of 331.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-5,6-diphenyl-1,2,4-triazine is sourced from PubChem (CID 6409930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).