5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine

C12H12ClN3O — CID 116822857

IUPAC5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine
SMILESCOc1cc(C)c(-c2nncnc2Cl)cc1C
InChIInChI=1S/C12H12ClN3O/c1-7-5-10(17-3)8(2)4-9(7)11-12(13)14-6-15-16-11/h4-6H,1-3H3
InChIKeyJNYZOQBPZBMAAV-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.82
Rot. Bonds2

About 5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine

5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine (PubChem CID 116822857) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine
PubChem CID116822857
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine
SMILESCOc1cc(C)c(-c2nncnc2Cl)cc1C
InChIInChI=1S/C12H12ClN3O/c1-7-5-10(17-3)8(2)4-9(7)11-12(13)14-6-15-16-11/h4-6H,1-3H3
InChIKeyJNYZOQBPZBMAAV-UHFFFAOYSA-N
XLogP2.82
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(4-methoxy-3,5-dimethylphenyl)-1,2,4-triazine
CID 116822930
[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478065
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazine-2-thione
CID 106521271
[4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82128869
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82480345
6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine
CID 116823026
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106521275
3-bromo-6-(4-methoxy-2,5-dimethylphenyl)pyridazine
CID 82094372
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
CID 116869027

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine?
The IUPAC name of 5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine (CID 116822857) is 5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine.
What is the SMILES notation for 5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine?
The canonical SMILES for 5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine is COc1cc(C)c(-c2nncnc2Cl)cc1C.
What is the InChIKey of 5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine?
The InChIKey is JNYZOQBPZBMAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-5-10(17-3)8(2)4-9(7)11-12(13)14-6-15-16-11/h4-6H,1-3H3.
What are the key properties of 5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine?
5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine has a molecular weight of 249.70 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-methoxy-2,5-dimethylphenyl)-1,2,4-triazine is sourced from PubChem (CID 116822857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).