5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C19H22N6 — CID 75369292

IUPAC5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(N3CCC(N4CCCC4)C3)n3ncnc3n2)cc1
InChIInChI=1S/C19H22N6/c1-2-6-15(7-3-1)17-12-18(25-19(22-17)20-14-21-25)24-11-8-16(13-24)23-9-4-5-10-23/h1-3,6-7,12,14,16H,4-5,8-11,13H2
InChIKeyUCAZWTYJNAHNLU-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.47
Rot. Bonds3

About 5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75369292) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75369292
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(N3CCC(N4CCCC4)C3)n3ncnc3n2)cc1
InChIInChI=1S/C19H22N6/c1-2-6-15(7-3-1)17-12-18(25-19(22-17)20-14-21-25)24-11-8-16(13-24)23-9-4-5-10-23/h1-3,6-7,12,14,16H,4-5,8-11,13H2
InChIKeyUCAZWTYJNAHNLU-UHFFFAOYSA-N
XLogP2.47
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75369292) is 5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc(-c2cc(N3CCC(N4CCCC4)C3)n3ncnc3n2)cc1.
What is the InChIKey of 5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is UCAZWTYJNAHNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-6-15(7-3-1)17-12-18(25-19(22-17)20-14-21-25)24-11-8-16(13-24)23-9-4-5-10-23/h1-3,6-7,12,14,16H,4-5,8-11,13H2.
What are the key properties of 5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 334.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75369292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).