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

C16H17N5 — CID 166271173

IUPAC7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(C2CCCCN2c2ccnc3ncnn23)cc1
InChIInChI=1S/C16H17N5/c1-2-6-13(7-3-1)14-8-4-5-11-20(14)15-9-10-17-16-18-12-19-21(15)16/h1-3,6-7,9-10,12,14H,4-5,8,11H2
InChIKeyHQKSQZIYTQFFFC-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.86
Rot. Bonds2

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

7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 166271173) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID166271173
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(C2CCCCN2c2ccnc3ncnn23)cc1
InChIInChI=1S/C16H17N5/c1-2-6-13(7-3-1)14-8-4-5-11-20(14)15-9-10-17-16-18-12-19-21(15)16/h1-3,6-7,9-10,12,14H,4-5,8,11H2
InChIKeyHQKSQZIYTQFFFC-UHFFFAOYSA-N
XLogP2.86
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 166271173) is 7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc(C2CCCCN2c2ccnc3ncnn23)cc1.
What is the InChIKey of 7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HQKSQZIYTQFFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-6-13(7-3-1)14-8-4-5-11-20(14)15-9-10-17-16-18-12-19-21(15)16/h1-3,6-7,9-10,12,14H,4-5,8,11H2.
What are the key properties of 7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 279.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166271173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).