2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide

C16H20F3N5O2 — CID 98065966

IUPAC2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide
SMILESCOCC(=O)NCC1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C16H20F3N5O2/c1-26-9-13(25)21-8-10-2-4-11(5-3-10)12-6-7-20-15-22-14(16(17,18)19)23-24(12)15/h6-7,10-11H,2-5,8-9H2,1H3,(H,21,25)
InChIKeyJPTYBXXGTPQEGM-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.18
Rot. Bonds5

About 2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide

2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide (PubChem CID 98065966) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide
PubChem CID98065966
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide
SMILESCOCC(=O)NCC1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C16H20F3N5O2/c1-26-9-13(25)21-8-10-2-4-11(5-3-10)12-6-7-20-15-22-14(16(17,18)19)23-24(12)15/h6-7,10-11H,2-5,8-9H2,1H3,(H,21,25)
InChIKeyJPTYBXXGTPQEGM-UHFFFAOYSA-N
XLogP2.18
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide (CID 98065966) is 2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide is COCC(=O)NCC1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1.
What is the InChIKey of 2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide?
The InChIKey is JPTYBXXGTPQEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-26-9-13(25)21-8-10-2-4-11(5-3-10)12-6-7-20-15-22-14(16(17,18)19)23-24(12)15/h6-7,10-11H,2-5,8-9H2,1H3,(H,21,25).
What are the key properties of 2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide?
2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide has a molecular weight of 371.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98065966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).