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

C17H12N4O — CID 1476968

IUPAC7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(Oc2ccc(-c3ccnc4ncnn34)cc2)cc1
InChIInChI=1S/C17H12N4O/c1-2-4-14(5-3-1)22-15-8-6-13(7-9-15)16-10-11-18-17-19-12-20-21(16)17/h1-12H
InChIKeyDZKQBPDYBOFHRO-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.58
Rot. Bonds3

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

7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1476968) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1476968
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(Oc2ccc(-c3ccnc4ncnn34)cc2)cc1
InChIInChI=1S/C17H12N4O/c1-2-4-14(5-3-1)22-15-8-6-13(7-9-15)16-10-11-18-17-19-12-20-21(16)17/h1-12H
InChIKeyDZKQBPDYBOFHRO-UHFFFAOYSA-N
XLogP3.58
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Pci 29732
CID 22347110
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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1476968) is 7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc(Oc2ccc(-c3ccnc4ncnn34)cc2)cc1.
What is the InChIKey of 7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DZKQBPDYBOFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-2-4-14(5-3-1)22-15-8-6-13(7-9-15)16-10-11-18-17-19-12-20-21(16)17/h1-12H.
What are the key properties of 7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 288.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1476968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).