3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole

C18H19N3O3 — CID 10268196

IUPAC3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
SMILESCCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H19N3O3/c1-4-24-18-19-17(13-5-9-15(22-2)10-6-13)21(20-18)14-7-11-16(23-3)12-8-14/h5-12H,4H2,1-3H3
InChIKeyLWBGBGKQKIMGQC-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.35
Rot. Bonds6

About 3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole

3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole (PubChem CID 10268196) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
PubChem CID10268196
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
SMILESCCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H19N3O3/c1-4-24-18-19-17(13-5-9-15(22-2)10-6-13)21(20-18)14-7-11-16(23-3)12-8-14/h5-12H,4H2,1-3H3
InChIKeyLWBGBGKQKIMGQC-UHFFFAOYSA-N
XLogP3.35
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[5-(2-ethoxyethoxy)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethanamine
CID 142920114
4-[5-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
CID 142920182
4-[2-(4-methoxyphenyl)-5-(2,2,2-trifluoroethoxy)-1,2,4-triazol-3-yl]phenol
CID 142920136
3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 142218254
1-(4-methoxyphenyl)-3-(2-methylpropoxy)-5-(4-phenylmethoxyphenyl)-1,2,4-triazole
CID 91538162
N-[4-[3-ethoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide
CID 42809966
4-[5-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10251963
4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10316466
2-[4-[5-methoxy-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10022837
1,5-bis(4-methoxyphenyl)-3-methylsulfinyl-1,2,4-triazole
CID 10268992
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987
4-bromo-N-[4-[3-ethoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 1027010

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole (CID 10268196) is 3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole is CCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(OC)cc2)n1.
What is the InChIKey of 3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole?
The InChIKey is LWBGBGKQKIMGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-4-24-18-19-17(13-5-9-15(22-2)10-6-13)21(20-18)14-7-11-16(23-3)12-8-14/h5-12H,4H2,1-3H3.
What are the key properties of 3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole?
3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole has a molecular weight of 325.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 10268196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).