[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone

C18H16F3N5O2 — CID 118471176

IUPAC[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCO2)n2ncnc2n1
InChIInChI=1S/C18H16F3N5O2/c1-11-8-14(26-17(24-11)22-10-23-26)15-9-25(6-7-28-15)16(27)12-2-4-13(5-3-12)18(19,20)21/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyJFEUDCQKGKBZGW-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.67
Rot. Bonds2

About [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone

[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 118471176) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID118471176
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCO2)n2ncnc2n1
InChIInChI=1S/C18H16F3N5O2/c1-11-8-14(26-17(24-11)22-10-23-26)15-9-25(6-7-28-15)16(27)12-2-4-13(5-3-12)18(19,20)21/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyJFEUDCQKGKBZGW-UHFFFAOYSA-N
XLogP2.67
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 118471176) is [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone is Cc1cc(C2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCO2)n2ncnc2n1.
What is the InChIKey of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is JFEUDCQKGKBZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-11-8-14(26-17(24-11)22-10-23-26)15-9-25(6-7-28-15)16(27)12-2-4-13(5-3-12)18(19,20)21/h2-5,8,10,15H,6-7,9H2,1H3.
What are the key properties of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 391.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 118471176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).