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

C17H24F3N7O — CID 42954840

IUPACN-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C17H24F3N7O/c1-4-11(2)21-13(28)10-25-5-7-26(8-6-25)14-9-12(3)22-16-23-15(17(18,19)20)24-27(14)16/h9,11H,4-8,10H2,1-3H3,(H,21,28)
InChIKeyKRWBLFULYIQZOS-UHFFFAOYSA-N
MW399.42 g/mol
LogP1.49
Rot. Bonds5

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

N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide (PubChem CID 42954840) has the molecular formula C17H24F3N7O and a molecular weight of 399.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide
PubChem CID42954840
Molecular FormulaC17H24F3N7O
Molecular Weight399.42 g/mol
Exact Mass399.20
IUPAC NameN-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C17H24F3N7O/c1-4-11(2)21-13(28)10-25-5-7-26(8-6-25)14-9-12(3)22-16-23-15(17(18,19)20)24-27(14)16/h9,11H,4-8,10H2,1-3H3,(H,21,28)
InChIKeyKRWBLFULYIQZOS-UHFFFAOYSA-N
XLogP1.49
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide (CID 42954840) is N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide?
The InChIKey is KRWBLFULYIQZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N7O/c1-4-11(2)21-13(28)10-25-5-7-26(8-6-25)14-9-12(3)22-16-23-15(17(18,19)20)24-27(14)16/h9,11H,4-8,10H2,1-3H3,(H,21,28).
What are the key properties of N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide has a molecular weight of 399.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 42954840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).