7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C18H13FN4O — CID 66498306

IUPAC7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nc3nccc(-c4ccc(F)cc4)n3n2)cc1
InChIInChI=1S/C18H13FN4O/c1-24-15-8-4-13(5-9-15)17-21-18-20-11-10-16(23(18)22-17)12-2-6-14(19)7-3-12/h2-11H,1H3
InChIKeyAEULVBXRCLMJDP-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.61
Rot. Bonds3

About 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 66498306) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID66498306
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nc3nccc(-c4ccc(F)cc4)n3n2)cc1
InChIInChI=1S/C18H13FN4O/c1-24-15-8-4-13(5-9-15)17-21-18-20-11-10-16(23(18)22-17)12-2-6-14(19)7-3-12/h2-11H,1H3
InChIKeyAEULVBXRCLMJDP-UHFFFAOYSA-N
XLogP3.61
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497840
2-(4-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498210
7-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66491531
7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1478926
2-phenyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498307
7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56921229
2-[(4-methoxyphenyl)methyl]-7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71705477
2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498295
2-[(4-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75465883
7-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1473228
11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 66498200
N'-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 3715620

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 66498306) is 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2nc3nccc(-c4ccc(F)cc4)n3n2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AEULVBXRCLMJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-24-15-8-4-13(5-9-15)17-21-18-20-11-10-16(23(18)22-17)12-2-6-14(19)7-3-12/h2-11H,1H3.
What are the key properties of 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 320.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66498306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).