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

C20H21N3O5 — CID 67422117

IUPAC3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2ncc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1OC
InChIInChI=1S/C20H21N3O5/c1-24-15-7-6-12(8-16(15)25-2)20-21-11-14(22-23-20)13-9-17(26-3)19(28-5)18(10-13)27-4/h6-11H,1-5H3
InChIKeyBWOYTSQWJAONOO-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.25
Rot. Bonds7

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

3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine (PubChem CID 67422117) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
PubChem CID67422117
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2ncc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1OC
InChIInChI=1S/C20H21N3O5/c1-24-15-7-6-12(8-16(15)25-2)20-21-11-14(22-23-20)13-9-17(26-3)19(28-5)18(10-13)27-4/h6-11H,1-5H3
InChIKeyBWOYTSQWJAONOO-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

5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
4-oxido-3-[3-[4-oxido-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-4-ium-3-yl]phenyl]-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-4-ium;6-(3,4,5-trimethoxyphenyl)-3-[3-[6-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]phenyl]-1,2,4-triazine
CID 161305505
3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
CID 18874648
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
[6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate
CID 6418724
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine
CID 156613211
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine
CID 74249111
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 59301205

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine (CID 67422117) is 3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine is COc1ccc(-c2ncc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine?
The InChIKey is BWOYTSQWJAONOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-24-15-7-6-12(8-16(15)25-2)20-21-11-14(22-23-20)13-9-17(26-3)19(28-5)18(10-13)27-4/h6-11H,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine?
3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-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 3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 67422117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).