(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C14H16F3N5O — CID 46533250

IUPAC(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC(C(F)(F)F)C3)nc2n1
InChIInChI=1S/C14H16F3N5O/c1-8-6-9(2)22-13(18-8)19-11(20-22)12(23)21-5-3-4-10(7-21)14(15,16)17/h6,10H,3-5,7H2,1-2H3
InChIKeyIFNAKSZXNFPPSZ-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.16
Rot. Bonds1

About (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 46533250) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID46533250
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCCC(C(F)(F)F)C3)nc2n1
InChIInChI=1S/C14H16F3N5O/c1-8-6-9(2)22-13(18-8)19-11(20-22)12(23)21-5-3-4-10(7-21)14(15,16)17/h6,10H,3-5,7H2,1-2H3
InChIKeyIFNAKSZXNFPPSZ-UHFFFAOYSA-N
XLogP2.16
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 46533250) is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCCC(C(F)(F)F)C3)nc2n1.
What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is IFNAKSZXNFPPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-8-6-9(2)22-13(18-8)19-11(20-22)12(23)21-5-3-4-10(7-21)14(15,16)17/h6,10H,3-5,7H2,1-2H3.
What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 327.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46533250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).