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

C17H22N4 — CID 53155999

IUPAC6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine
SMILESCc1cccc(-c2nnc(C)c(N3CCCCC3C)n2)c1
InChIInChI=1S/C17H22N4/c1-12-7-6-9-15(11-12)16-18-17(14(3)19-20-16)21-10-5-4-8-13(21)2/h6-7,9,11,13H,4-5,8,10H2,1-3H3
InChIKeyALYOAOCFRBTJDC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.53
Rot. Bonds2

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

6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine (PubChem CID 53155999) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine
PubChem CID53155999
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine
SMILESCc1cccc(-c2nnc(C)c(N3CCCCC3C)n2)c1
InChIInChI=1S/C17H22N4/c1-12-7-6-9-15(11-12)16-18-17(14(3)19-20-16)21-10-5-4-8-13(21)2/h6-7,9,11,13H,4-5,8,10H2,1-3H3
InChIKeyALYOAOCFRBTJDC-UHFFFAOYSA-N
XLogP3.53
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine?
The IUPAC name of 6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine (CID 53155999) is 6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine?
The canonical SMILES for 6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine is Cc1cccc(-c2nnc(C)c(N3CCCCC3C)n2)c1.
What is the InChIKey of 6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine?
The InChIKey is ALYOAOCFRBTJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-7-6-9-15(11-12)16-18-17(14(3)19-20-16)21-10-5-4-8-13(21)2/h6-7,9,11,13H,4-5,8,10H2,1-3H3.
What are the key properties of 6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine?
6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine has a molecular weight of 282.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-methylphenyl)-5-(2-methylpiperidin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 53155999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).