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

C16H21N5 — CID 53156005

IUPAC6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCc1cccc(-c2nnc(C)c(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C16H21N5/c1-12-5-4-6-14(11-12)15-17-16(13(2)18-19-15)21-9-7-20(3)8-10-21/h4-6,11H,7-10H2,1-3H3
InChIKeyZYLYCQPJUVEMTJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.91
Rot. Bonds2

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

6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 53156005) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
PubChem CID53156005
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCc1cccc(-c2nnc(C)c(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C16H21N5/c1-12-5-4-6-14(11-12)15-17-16(13(2)18-19-15)21-9-7-20(3)8-10-21/h4-6,11H,7-10H2,1-3H3
InChIKeyZYLYCQPJUVEMTJ-UHFFFAOYSA-N
XLogP1.91
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,6-Diphenyl-1,2,4-triazin-3-yl)morpholine
CID 2842253
6-(2,6-Dimethylpyridin-4-Yl)-5-Phenyl-1,2,4-Triazin-3-Amine
CID 56844240
N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine
CID 6404618
3-Phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine
CID 6413293
5-Phenyl-3-(piperidin-1-yl)-1,2,4-triazine
CID 6400923
6-(3,5-Dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353232
6-(3,3-Dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354728
5,6-Diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine
CID 6409931
3,5,6-Triphenyl-1,2,4-triazine
CID 6409950
7-(3,5-Dimethyl-piperidin-1-yl)-5-methyl-2-m-tolyl-pyrazolo[1,5-a]pyrimidine
CID 3229911
3-(4-Bromophenyl)-5-(4-methyl-1-piperazinyl)-6-phenyl-1,2,4-triazine
CID 6402465
N-isopropyl-3,6-diphenyl-1,2,4-triazin-5-amine
CID 6404615

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine (CID 53156005) is 6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine is Cc1cccc(-c2nnc(C)c(N3CCN(C)CC3)n2)c1.
What is the InChIKey of 6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is ZYLYCQPJUVEMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-5-4-6-14(11-12)15-17-16(13(2)18-19-15)21-9-7-20(3)8-10-21/h4-6,11H,7-10H2,1-3H3.
What are the key properties of 6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 283.38 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 53156005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).