3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine

C17H15N7O2 — CID 7185254

IUPAC3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESCCOc1ccc(-n2nnc(-c3nc(-c4ccncc4)no3)c2N)cc1
InChIInChI=1S/C17H15N7O2/c1-2-25-13-5-3-12(4-6-13)24-15(18)14(21-23-24)17-20-16(22-26-17)11-7-9-19-10-8-11/h3-10H,2,18H2,1H3
InChIKeyNMEMYXVTOSBKER-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.36
Rot. Bonds5

About 3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine

3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (PubChem CID 7185254) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
PubChem CID7185254
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESCCOc1ccc(-n2nnc(-c3nc(-c4ccncc4)no3)c2N)cc1
InChIInChI=1S/C17H15N7O2/c1-2-25-13-5-3-12(4-6-13)24-15(18)14(21-23-24)17-20-16(22-26-17)11-7-9-19-10-8-11/h3-10H,2,18H2,1H3
InChIKeyNMEMYXVTOSBKER-UHFFFAOYSA-N
XLogP2.36
TPSA117.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 18591859
3-(4-bromophenyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 16833201
3-(3-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904392
3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904400
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 20904427
3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904477
5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 53034207
3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904364
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3,4-dimethoxyphenyl)triazol-4-amine
CID 7183538
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 18591770
5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916212
5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine
CID 53082527

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The IUPAC name of 3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (CID 7185254) is 3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The canonical SMILES for 3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is CCOc1ccc(-n2nnc(-c3nc(-c4ccncc4)no3)c2N)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The InChIKey is NMEMYXVTOSBKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-2-25-13-5-3-12(4-6-13)24-15(18)14(21-23-24)17-20-16(22-26-17)11-7-9-19-10-8-11/h3-10H,2,18H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine has a molecular weight of 349.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is sourced from PubChem (CID 7185254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).