[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

C18H17F3N6O2 — CID 118471278

IUPAC[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(C(F)(F)F)nc3C)CCO2)n2ncnc2n1
InChIInChI=1S/C18H17F3N6O2/c1-10-7-13(27-17(24-10)22-9-23-27)14-8-26(5-6-29-14)16(28)12-3-4-15(18(19,20)21)25-11(12)2/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyBCZIDNLZRYLCLU-UHFFFAOYSA-N
MW406.37 g/mol
LogP2.37
Rot. Bonds2

About [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 118471278) has the molecular formula C18H17F3N6O2 and a molecular weight of 406.37 g/mol. Its IUPAC name is [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID118471278
Molecular FormulaC18H17F3N6O2
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC Name[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(C(F)(F)F)nc3C)CCO2)n2ncnc2n1
InChIInChI=1S/C18H17F3N6O2/c1-10-7-13(27-17(24-10)22-9-23-27)14-8-26(5-6-29-14)16(28)12-3-4-15(18(19,20)21)25-11(12)2/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyBCZIDNLZRYLCLU-UHFFFAOYSA-N
XLogP2.37
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118479616
US9873709, Example 2-154
CID 117950847
US11186582, Example 256
CID 118470982
US11186582, Example 536
CID 118471039
US11186582, Example 303
CID 118471084
US11186582, Example 559
CID 118471111
US11186582, Example 546
CID 118471441
US11186582, Example 228
CID 118471505
US11186582, Example 214
CID 118471523
US11186582, Example 231
CID 118471747
US11186582, Example 384
CID 118472562
US11186582, Example 380
CID 118472643

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]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 118471278) is [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1cc(C2CN(C(=O)c3ccc(C(F)(F)F)nc3C)CCO2)n2ncnc2n1.
What is the InChIKey of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is BCZIDNLZRYLCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2/c1-10-7-13(27-17(24-10)22-9-23-27)14-8-26(5-6-29-14)16(28)12-3-4-15(18(19,20)21)25-11(12)2/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of [2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 406.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 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]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 118471278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).