7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C15H11F3N4O2 — CID 91643504

IUPAC7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC=CCOc1ccc(Oc2cc(C(F)(F)F)nc3ncnn23)cc1
InChIInChI=1S/C15H11F3N4O2/c1-2-7-23-10-3-5-11(6-4-10)24-13-8-12(15(16,17)18)21-14-19-9-20-22(13)14/h2-6,8-9H,1,7H2
InChIKeyOUZLSMOOEOZFEV-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.50
Rot. Bonds5

About 7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 91643504) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID91643504
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC=CCOc1ccc(Oc2cc(C(F)(F)F)nc3ncnn23)cc1
InChIInChI=1S/C15H11F3N4O2/c1-2-7-23-10-3-5-11(6-4-10)24-13-8-12(15(16,17)18)21-14-19-9-20-22(13)14/h2-6,8-9H,1,7H2
InChIKeyOUZLSMOOEOZFEV-UHFFFAOYSA-N
XLogP3.50
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine 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

5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1460771
N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263415
2-[2-(4-Methoxyphenoxy)ethylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2586931
2-{[2-(4-Fluorophenoxy)ethyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2510926
2-[2-(2-Fluorophenoxy)ethylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2576526
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine
CID 850354
N'-{7-[1-(3-fluorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N,N-dimethyliminoformamide
CID 9634425
N-(3-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816783
phenyl 6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl ether
CID 850345
N'-[7-[1-(4-fluorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 5909635
(3-Ethoxy-phenyl)-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 656168
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenoxypyrimidine
CID 850299

Frequently Asked Questions

What is the IUPAC name of 7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 91643504) is 7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is C=CCOc1ccc(Oc2cc(C(F)(F)F)nc3ncnn23)cc1.
What is the InChIKey of 7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OUZLSMOOEOZFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-2-7-23-10-3-5-11(6-4-10)24-13-8-12(15(16,17)18)21-14-19-9-20-22(13)14/h2-6,8-9H,1,7H2.
What are the key properties of 7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 336.27 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-prop-2-enoxyphenoxy)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91643504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).