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

C17H22N4 — CID 53155979

IUPAC6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine
SMILESCc1ccc(-c2nnc(C)c(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-12-4-6-15(7-5-12)16-18-17(14(3)19-20-16)21-10-8-13(2)9-11-21/h4-7,13H,8-11H2,1-3H3
InChIKeyBAEVQGXBGGGLGC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.39
Rot. Bonds2

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

6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine (PubChem CID 53155979) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine
PubChem CID53155979
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine
SMILESCc1ccc(-c2nnc(C)c(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-12-4-6-15(7-5-12)16-18-17(14(3)19-20-16)21-10-8-13(2)9-11-21/h4-7,13H,8-11H2,1-3H3
InChIKeyBAEVQGXBGGGLGC-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine?
The IUPAC name of 6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine (CID 53155979) is 6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine?
The canonical SMILES for 6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine is Cc1ccc(-c2nnc(C)c(N3CCC(C)CC3)n2)cc1.
What is the InChIKey of 6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine?
The InChIKey is BAEVQGXBGGGLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-4-6-15(7-5-12)16-18-17(14(3)19-20-16)21-10-8-13(2)9-11-21/h4-7,13H,8-11H2,1-3H3.
What are the key properties of 6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine?
6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine has a molecular weight of 282.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 53155979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).