2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide

C16H15F3N6O2 — CID 8895463

IUPAC2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)n2ncnc2n1
InChIInChI=1S/C16H15F3N6O2/c1-10-7-14(25-15(22-10)20-9-21-25)24(2)8-13(26)23-11-3-5-12(6-4-11)27-16(17,18)19/h3-7,9H,8H2,1-2H3,(H,23,26)
InChIKeyUIHPXNWRJCELEB-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.41
Rot. Bonds5

About 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 8895463) has the molecular formula C16H15F3N6O2 and a molecular weight of 380.33 g/mol. Its IUPAC name is 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID8895463
Molecular FormulaC16H15F3N6O2
Molecular Weight380.33 g/mol
Exact Mass380.12
IUPAC Name2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)n2ncnc2n1
InChIInChI=1S/C16H15F3N6O2/c1-10-7-14(25-15(22-10)20-9-21-25)24(2)8-13(26)23-11-3-5-12(6-4-11)27-16(17,18)19/h3-7,9H,8H2,1-2H3,(H,23,26)
InChIKeyUIHPXNWRJCELEB-UHFFFAOYSA-N
XLogP2.41
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 8895463) is 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1cc(N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)n2ncnc2n1.
What is the InChIKey of 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is UIHPXNWRJCELEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2/c1-10-7-14(25-15(22-10)20-9-21-25)24(2)8-13(26)23-11-3-5-12(6-4-11)27-16(17,18)19/h3-7,9H,8H2,1-2H3,(H,23,26).
What are the key properties of 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 380.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 8895463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).