5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C15H20F3N5 — CID 110245276

IUPAC5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCCN1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1
InChIInChI=1S/C15H20F3N5/c1-2-3-6-22-7-4-5-11(9-22)12-8-13(15(16,17)18)23-14(21-12)19-10-20-23/h8,10-11H,2-7,9H2,1H3
InChIKeyHWQRKYHYGKTYGX-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.12
Rot. Bonds4

About 5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 110245276) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID110245276
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCCN1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1
InChIInChI=1S/C15H20F3N5/c1-2-3-6-22-7-4-5-11(9-22)12-8-13(15(16,17)18)23-14(21-12)19-10-20-23/h8,10-11H,2-7,9H2,1H3
InChIKeyHWQRKYHYGKTYGX-UHFFFAOYSA-N
XLogP3.12
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 110245276) is 5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCCCN1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1.
What is the InChIKey of 5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HWQRKYHYGKTYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-2-3-6-22-7-4-5-11(9-22)12-8-13(15(16,17)18)23-14(21-12)19-10-20-23/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 327.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110245276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).