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

C11H11N3O2 — CID 3053044

IUPAC3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(OC)n2)cc1
InChIInChI=1S/C11H11N3O2/c1-15-9-5-3-8(4-6-9)10-7-12-14-11(13-10)16-2/h3-7H,1-2H3
InChIKeyHUUJMFKKRHATAD-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.56
Rot. Bonds3

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

3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine (PubChem CID 3053044) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine
PubChem CID3053044
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(OC)n2)cc1
InChIInChI=1S/C11H11N3O2/c1-15-9-5-3-8(4-6-9)10-7-12-14-11(13-10)16-2/h3-7H,1-2H3
InChIKeyHUUJMFKKRHATAD-UHFFFAOYSA-N
XLogP1.56
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine?
The IUPAC name of 3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine (CID 3053044) is 3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine is COc1ccc(-c2cnnc(OC)n2)cc1.
What is the InChIKey of 3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine?
The InChIKey is HUUJMFKKRHATAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-15-9-5-3-8(4-6-9)10-7-12-14-11(13-10)16-2/h3-7H,1-2H3.
What are the key properties of 3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine?
3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine has a molecular weight of 217.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 3053044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).