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

C16H17FN4O — CID 71703173

IUPAC7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(CC(C)C)nn23)c(F)c1
InChIInChI=1S/C16H17FN4O/c1-10(2)8-15-19-16-18-7-6-14(21(16)20-15)12-5-4-11(22-3)9-13(12)17/h4-7,9-10H,8H2,1-3H3
InChIKeyRTQBLYQGXVQEOY-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.14
Rot. Bonds4

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

7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71703173) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71703173
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(CC(C)C)nn23)c(F)c1
InChIInChI=1S/C16H17FN4O/c1-10(2)8-15-19-16-18-7-6-14(21(16)20-15)12-5-4-11(22-3)9-13(12)17/h4-7,9-10H,8H2,1-3H3
InChIKeyRTQBLYQGXVQEOY-UHFFFAOYSA-N
XLogP3.14
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71703173) is 7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3nc(CC(C)C)nn23)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RTQBLYQGXVQEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-10(2)8-15-19-16-18-7-6-14(21(16)20-15)12-5-4-11(22-3)9-13(12)17/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 300.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71703173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).