5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine

C15H19N5 — CID 82487978

IUPAC5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine
SMILESCc1ccc(-c2cnnc(N3CCNCC3)n2)cc1C
InChIInChI=1S/C15H19N5/c1-11-3-4-13(9-12(11)2)14-10-17-19-15(18-14)20-7-5-16-6-8-20/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyHSDIRKWKYWNPPU-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.57
Rot. Bonds2

About 5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine

5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine (PubChem CID 82487978) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine
PubChem CID82487978
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine
SMILESCc1ccc(-c2cnnc(N3CCNCC3)n2)cc1C
InChIInChI=1S/C15H19N5/c1-11-3-4-13(9-12(11)2)14-10-17-19-15(18-14)20-7-5-16-6-8-20/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyHSDIRKWKYWNPPU-UHFFFAOYSA-N
XLogP1.57
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine
CID 96667978
3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine
CID 82479940
4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
CID 96668438
4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine
CID 95430396
5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine
CID 6401202
6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride
CID 23321160
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
1-(5-naphthalen-2-yl-1,2,4-triazin-3-yl)-4-pyrimidin-2-yl-1,4-diazepane
CID 25454282
CID 46855759
CID 46855759
1-[5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798298
4-(4-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine
CID 103278304
1-(5-methylpyridazin-3-yl)-1,4-diazepane
CID 106549205

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine?
The IUPAC name of 5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine (CID 82487978) is 5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine is Cc1ccc(-c2cnnc(N3CCNCC3)n2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine?
The InChIKey is HSDIRKWKYWNPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-3-4-13(9-12(11)2)14-10-17-19-15(18-14)20-7-5-16-6-8-20/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of 5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine?
5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine has a molecular weight of 269.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine is sourced from PubChem (CID 82487978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).