5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine

C20H21N3O5 — CID 3053061

IUPAC5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine
SMILESCOc1nnc(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H21N3O5/c1-24-14-8-6-12(10-16(14)26-3)18-19(22-23-20(21-18)28-5)13-7-9-15(25-2)17(11-13)27-4/h6-11H,1-5H3
InChIKeyHQVQOQZUPPQXNX-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.25
Rot. Bonds7

About 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine

5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine (PubChem CID 3053061) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine.

Molecular Properties

Compound Name5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine
PubChem CID3053061
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine
SMILESCOc1nnc(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H21N3O5/c1-24-14-8-6-12(10-16(14)26-3)18-19(22-23-20(21-18)28-5)13-7-9-15(25-2)17(11-13)27-4/h6-11H,1-5H3
InChIKeyHQVQOQZUPPQXNX-UHFFFAOYSA-N
XLogP3.25
TPSA84.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Anitrazafen
CID 44410
6-(3,4-Dimethoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 715685
4-(3,4-Dimethoxyphenyl)-2-hydrazino-6-phenylpyrimidine
CID 869765
2-Chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
CID 2058821
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine
CID 629427
6-Benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
CID 126672987
6-(3,4-Dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 137348600
3,4-Dimethoxybenzaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 9776892
2-{[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-YL]sulfanyl}-N-cyclopentylacetamide
CID 16033446
2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 6413347
3,5-Diamino-6-[3,4-methylenedioxyphenyl]-1,2,4-triazine
CID 595408
1,2,4-Triazine, 5,6-bis(4-methoxyphenyl)-3-(methylthio)-
CID 617240

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine?
The IUPAC name of 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine (CID 3053061) is 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine.
What is the SMILES notation for 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine?
The canonical SMILES for 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine is COc1nnc(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine?
The InChIKey is HQVQOQZUPPQXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-24-14-8-6-12(10-16(14)26-3)18-19(22-23-20(21-18)28-5)13-7-9-15(25-2)17(11-13)27-4/h6-11H,1-5H3.
What are the key properties of 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine?
5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine has a molecular weight of 383.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(3,4-dimethoxyphenyl)-3-methoxy-1,2,4-triazine is sourced from PubChem (CID 3053061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).