3,5-bis(4-ethoxyphenyl)-1,2,4-triazine

C19H19N3O2 — CID 154146425

IUPAC3,5-bis(4-ethoxyphenyl)-1,2,4-triazine
SMILESCCOc1ccc(-c2cnnc(-c3ccc(OCC)cc3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-23-16-9-5-14(6-10-16)18-13-20-22-19(21-18)15-7-11-17(12-8-15)24-4-2/h5-13H,3-4H2,1-2H3
InChIKeyPVWDWCBDJZYATH-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.00
Rot. Bonds6

About 3,5-bis(4-ethoxyphenyl)-1,2,4-triazine

3,5-bis(4-ethoxyphenyl)-1,2,4-triazine (PubChem CID 154146425) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3,5-bis(4-ethoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3,5-bis(4-ethoxyphenyl)-1,2,4-triazine
PubChem CID154146425
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3,5-bis(4-ethoxyphenyl)-1,2,4-triazine
SMILESCCOc1ccc(-c2cnnc(-c3ccc(OCC)cc3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-23-16-9-5-14(6-10-16)18-13-20-22-19(21-18)15-7-11-17(12-8-15)24-4-2/h5-13H,3-4H2,1-2H3
InChIKeyPVWDWCBDJZYATH-UHFFFAOYSA-N
XLogP4.00
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)-1,2,4,5-tetrazine
CID 172602798
3-chloro-5-(4-propoxyphenyl)-1,2,4-triazine
CID 82480729
5-bromo-2-(4-ethoxyphenyl)pyridine
CID 83920618
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
CID 66312090
2-(4-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297425
2-(4-ethoxyphenyl)-5-propylpyrimidine
CID 18702636
6-(4-ethoxyphenyl)pyridin-3-amine
CID 79018845
4-(4-ethoxyphenyl)selenadiazole
CID 4047770
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 66296065
[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol
CID 5200457
6-(4-ethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203548

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-ethoxyphenyl)-1,2,4-triazine?
The IUPAC name of 3,5-bis(4-ethoxyphenyl)-1,2,4-triazine (CID 154146425) is 3,5-bis(4-ethoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 3,5-bis(4-ethoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 3,5-bis(4-ethoxyphenyl)-1,2,4-triazine is CCOc1ccc(-c2cnnc(-c3ccc(OCC)cc3)n2)cc1.
What is the InChIKey of 3,5-bis(4-ethoxyphenyl)-1,2,4-triazine?
The InChIKey is PVWDWCBDJZYATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-23-16-9-5-14(6-10-16)18-13-20-22-19(21-18)15-7-11-17(12-8-15)24-4-2/h5-13H,3-4H2,1-2H3.
What are the key properties of 3,5-bis(4-ethoxyphenyl)-1,2,4-triazine?
3,5-bis(4-ethoxyphenyl)-1,2,4-triazine has a molecular weight of 321.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-ethoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 154146425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).