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

C11H11N3 — CID 14241961

IUPAC6-methyl-3-(4-methylphenyl)-1,2,4-triazine
SMILESCc1ccc(-c2ncc(C)nn2)cc1
InChIInChI=1S/C11H11N3/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-14-11/h3-7H,1-2H3
InChIKeyFLXJCSFOAJFJTI-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.16
Rot. Bonds1

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

6-methyl-3-(4-methylphenyl)-1,2,4-triazine (PubChem CID 14241961) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 6-methyl-3-(4-methylphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name6-methyl-3-(4-methylphenyl)-1,2,4-triazine
PubChem CID14241961
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name6-methyl-3-(4-methylphenyl)-1,2,4-triazine
SMILESCc1ccc(-c2ncc(C)nn2)cc1
InChIInChI=1S/C11H11N3/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-14-11/h3-7H,1-2H3
InChIKeyFLXJCSFOAJFJTI-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

2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064783
3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine
CID 118345276
ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane
CID 90990178
5-(4-methylphenyl)-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 21044112
3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine
CID 118345270
2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine
CID 59938712
3,6-dimethyl-1,2,4-triazine
CID 22151763
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
4-(5-methylpyrimidin-2-yl)phenol
CID 135581358
5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine
CID 59982558
3-methyl-6-(4-methylphenyl)pyridazine;3-methyl-6-(5-methyl-2-pyridinyl)pyridazine
CID 144588517
2-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one
CID 83891684

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylphenyl)-1,2,4-triazine?
The IUPAC name of 6-methyl-3-(4-methylphenyl)-1,2,4-triazine (CID 14241961) is 6-methyl-3-(4-methylphenyl)-1,2,4-triazine.
What is the SMILES notation for 6-methyl-3-(4-methylphenyl)-1,2,4-triazine?
The canonical SMILES for 6-methyl-3-(4-methylphenyl)-1,2,4-triazine is Cc1ccc(-c2ncc(C)nn2)cc1.
What is the InChIKey of 6-methyl-3-(4-methylphenyl)-1,2,4-triazine?
The InChIKey is FLXJCSFOAJFJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-14-11/h3-7H,1-2H3.
What are the key properties of 6-methyl-3-(4-methylphenyl)-1,2,4-triazine?
6-methyl-3-(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 6-methyl-3-(4-methylphenyl)-1,2,4-triazine is sourced from PubChem (CID 14241961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).