5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine

C12H13N3O3 — CID 3053037

IUPAC5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C12H13N3O3/c1-16-10-5-4-8(6-11(10)17-2)9-7-13-15-12(14-9)18-3/h4-7H,1-3H3
InChIKeyWBFFJDMOZXSWFZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.56
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine

5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine (PubChem CID 3053037) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine
PubChem CID3053037
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C12H13N3O3/c1-16-10-5-4-8(6-11(10)17-2)9-7-13-15-12(14-9)18-3/h4-7H,1-3H3
InChIKeyWBFFJDMOZXSWFZ-UHFFFAOYSA-N
XLogP1.56
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(E)-{2-[5-(4-Methoxyphenyl)-1,2,4-triazin-3-YL]hydrazin-1-ylidene}methyl]phenol
CID 135439774
6-(3,4-Dimethoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 715685
6-(3-Methoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 620319
3-(3,4-dimethoxyphenyl)-N-methyl-6-imidazo[1,2-b]pyridazinamine
CID 46948099
3-(3,4-dimethoxy-phenyl)-N-propyl-imidazo[1,2-b]pyridazin-6-amine
CID 58857652
6-(3,4-Dimethoxyphenyl)-3-(4-pyridyl)imidazo[1,2-b]pyridazine
CID 90670243
3-(3,4-Dimethoxy-phenyl)-6-(3-pyridyl)imidazo [1,2-b]pyridazine
CID 90670245
6-Benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
CID 126672987
3-(3,4-Dimethoxy-phenyl)-6-(3-fluorophenyl) imidazo[1,2-b]pyridazine
CID 126673196
3,4-Dihydroxybenzaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 135497924
as-Triazine, 3-hydrazino-5-(4-methoxyphenyl)-
CID 3042264
1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(4-methoxyphenyl)-
CID 3054503

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine (CID 3053037) is 5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine is COc1nncc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine?
The InChIKey is WBFFJDMOZXSWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-16-10-5-4-8(6-11(10)17-2)9-7-13-15-12(14-9)18-3/h4-7H,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine?
5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine has a molecular weight of 247.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine is sourced from PubChem (CID 3053037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).