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

C16H20N4 — CID 53155992

IUPAC6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine
SMILESCc1ccc(-c2nnc(C)c(N3CCCCC3)n2)cc1
InChIInChI=1S/C16H20N4/c1-12-6-8-14(9-7-12)15-17-16(13(2)18-19-15)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3
InChIKeyPSVUKQKVEUBYFQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.15
Rot. Bonds2

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

6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine (PubChem CID 53155992) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine
PubChem CID53155992
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine
SMILESCc1ccc(-c2nnc(C)c(N3CCCCC3)n2)cc1
InChIInChI=1S/C16H20N4/c1-12-6-8-14(9-7-12)15-17-16(13(2)18-19-15)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3
InChIKeyPSVUKQKVEUBYFQ-UHFFFAOYSA-N
XLogP3.15
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2842253
CID 2842253
CID 6404618
CID 6404618
CID 6413293
CID 6413293
CID 6400923
CID 6400923
CID 44531117
CID 44531117
CID 53354627
CID 53354627
CID 53354728
CID 53354728
CID 6409931
CID 6409931
CID 59516799
CID 59516799
CID 6409950
CID 6409950
CID 6402465
CID 6402465
CID 6404615
CID 6404615

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine?
The IUPAC name of 6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine (CID 53155992) is 6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine.
What is the SMILES notation for 6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine?
The canonical SMILES for 6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine is Cc1ccc(-c2nnc(C)c(N3CCCCC3)n2)cc1.
What is the InChIKey of 6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine?
The InChIKey is PSVUKQKVEUBYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-6-8-14(9-7-12)15-17-16(13(2)18-19-15)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine?
6-methyl-3-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazine has a molecular weight of 268.36 g/mol, XLogP of 3.15, 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-piperidin-1-yl-1,2,4-triazine is sourced from PubChem (CID 53155992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).