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

C11H11N3 — CID 134558239

IUPAC3-methyl-6-(4-methylphenyl)-1,2,4-triazine
SMILESCc1ccc(-c2cnc(C)nn2)cc1
InChIInChI=1S/C11H11N3/c1-8-3-5-10(6-4-8)11-7-12-9(2)13-14-11/h3-7H,1-2H3
InChIKeyOXMZWXWMGMZRPY-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.16
Rot. Bonds1

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

3-methyl-6-(4-methylphenyl)-1,2,4-triazine (PubChem CID 134558239) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-methyl-6-(4-methylphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-methyl-6-(4-methylphenyl)-1,2,4-triazine
PubChem CID134558239
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-methyl-6-(4-methylphenyl)-1,2,4-triazine
SMILESCc1ccc(-c2cnc(C)nn2)cc1
InChIInChI=1S/C11H11N3/c1-8-3-5-10(6-4-8)11-7-12-9(2)13-14-11/h3-7H,1-2H3
InChIKeyOXMZWXWMGMZRPY-UHFFFAOYSA-N
XLogP2.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine
CID 118345270
3-methyl-6-(4-methylphenyl)pyridazine;3-methyl-6-(5-methyl-2-pyridinyl)pyridazine
CID 144588517
3-methyl-6-thiophen-2-yl-1,2,4-triazine
CID 135139824
3,6-dimethyl-1,2,4-triazine
CID 22151763
6-(4-methylphenyl)-2H-1,2,4-triazin-3-one
CID 135077965
5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157240275
[6-(4-methylphenyl)-3-pyridinyl]phosphane
CID 59609913
3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine
CID 118345276
2-(4-ethynylphenyl)-5-methylpyridine
CID 139035898
N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]methanamine
CID 82284420
5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine
CID 159579778
[6-(4-methylphenyl)pyridazin-3-yl]methanamine
CID 82282214

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylphenyl)-1,2,4-triazine?
The IUPAC name of 3-methyl-6-(4-methylphenyl)-1,2,4-triazine (CID 134558239) is 3-methyl-6-(4-methylphenyl)-1,2,4-triazine.
What is the SMILES notation for 3-methyl-6-(4-methylphenyl)-1,2,4-triazine?
The canonical SMILES for 3-methyl-6-(4-methylphenyl)-1,2,4-triazine is Cc1ccc(-c2cnc(C)nn2)cc1.
What is the InChIKey of 3-methyl-6-(4-methylphenyl)-1,2,4-triazine?
The InChIKey is OXMZWXWMGMZRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8-3-5-10(6-4-8)11-7-12-9(2)13-14-11/h3-7H,1-2H3.
What are the key properties of 3-methyl-6-(4-methylphenyl)-1,2,4-triazine?
3-methyl-6-(4-methylphenyl)-1,2,4-triazine has a molecular weight of 185.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylphenyl)-1,2,4-triazine is sourced from PubChem (CID 134558239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).