5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine

C19H27N7 — CID 112945994

IUPAC5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCc1cccc(N2CCN(c3cnnc(N4CCN(C)CC4)n3)CC2)c1
InChIInChI=1S/C19H27N7/c1-16-4-3-5-17(14-16)24-10-12-25(13-11-24)18-15-20-22-19(21-18)26-8-6-23(2)7-9-26/h3-5,14-15H,6-13H2,1-2H3
InChIKeyVQKOLCLVDDPXDE-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.26
Rot. Bonds3

About 5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine

5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 112945994) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
PubChem CID112945994
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCc1cccc(N2CCN(c3cnnc(N4CCN(C)CC4)n3)CC2)c1
InChIInChI=1S/C19H27N7/c1-16-4-3-5-17(14-16)24-10-12-25(13-11-24)18-15-20-22-19(21-18)26-8-6-23(2)7-9-26/h3-5,14-15H,6-13H2,1-2H3
InChIKeyVQKOLCLVDDPXDE-UHFFFAOYSA-N
XLogP1.26
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945819
4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888119
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
CID 112938752
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]azepane
CID 112955538
3-(4-benzylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945803
5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945981
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
N-(2-fluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957301
1-[4-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947029

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine (CID 112945994) is 5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine is Cc1cccc(N2CCN(c3cnnc(N4CCN(C)CC4)n3)CC2)c1.
What is the InChIKey of 5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is VQKOLCLVDDPXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-16-4-3-5-17(14-16)24-10-12-25(13-11-24)18-15-20-22-19(21-18)26-8-6-23(2)7-9-26/h3-5,14-15H,6-13H2,1-2H3.
What are the key properties of 5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 353.47 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 112945994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).