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

C19H21FN4O — CID 71707129

IUPAC2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(CCC3CCCC3)nn12
InChIInChI=1S/C19H21FN4O/c1-25-17-12-14(20)7-8-15(17)16-10-11-21-19-22-18(23-24(16)19)9-6-13-4-2-3-5-13/h7-8,10-13H,2-6,9H2,1H3
InChIKeyJRJUQVIGKAFKOM-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.06
Rot. Bonds5

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

2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71707129) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71707129
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(CCC3CCCC3)nn12
InChIInChI=1S/C19H21FN4O/c1-25-17-12-14(20)7-8-15(17)16-10-11-21-19-22-18(23-24(16)19)9-6-13-4-2-3-5-13/h7-8,10-13H,2-6,9H2,1H3
InChIKeyJRJUQVIGKAFKOM-UHFFFAOYSA-N
XLogP4.06
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71707129) is 2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(F)ccc1-c1ccnc2nc(CCC3CCCC3)nn12.
What is the InChIKey of 2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JRJUQVIGKAFKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-25-17-12-14(20)7-8-15(17)16-10-11-21-19-22-18(23-24(16)19)9-6-13-4-2-3-5-13/h7-8,10-13H,2-6,9H2,1H3.
What are the key properties of 2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 340.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71707129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).