6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine

C16H20N4O — CID 53494047

IUPAC6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine
SMILESCc1cnc(N2CCC(Oc3ccccc3C)CC2)nn1
InChIInChI=1S/C16H20N4O/c1-12-5-3-4-6-15(12)21-14-7-9-20(10-8-14)16-17-11-13(2)18-19-16/h3-6,11,14H,7-10H2,1-2H3
InChIKeyWJSVQDCBVVDKLI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds3

About 6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine

6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine (PubChem CID 53494047) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine
PubChem CID53494047
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine
SMILESCc1cnc(N2CCC(Oc3ccccc3C)CC2)nn1
InChIInChI=1S/C16H20N4O/c1-12-5-3-4-6-15(12)21-14-7-9-20(10-8-14)16-17-11-13(2)18-19-16/h3-6,11,14H,7-10H2,1-2H3
InChIKeyWJSVQDCBVVDKLI-UHFFFAOYSA-N
XLogP2.54
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine?
The IUPAC name of 6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine (CID 53494047) is 6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine?
The canonical SMILES for 6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine is Cc1cnc(N2CCC(Oc3ccccc3C)CC2)nn1.
What is the InChIKey of 6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine?
The InChIKey is WJSVQDCBVVDKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-5-3-4-6-15(12)21-14-7-9-20(10-8-14)16-17-11-13(2)18-19-16/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine?
6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine has a molecular weight of 284.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 53494047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).