2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

C17H17F2N5O3 — CID 162626857

IUPAC2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCc1c(C)nc2nc(NC(=O)C(C)Oc3ccc(F)cc3F)[nH]n2c1=O
InChIInChI=1S/C17H17F2N5O3/c1-4-11-8(2)20-17-22-16(23-24(17)15(11)26)21-14(25)9(3)27-13-6-5-10(18)7-12(13)19/h5-7,9H,4H2,1-3H3,(H2,20,21,22,23,25)
InChIKeyLJGCZUYHGRJPPT-UHFFFAOYSA-N
MW377.35 g/mol
LogP1.97
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (PubChem CID 162626857) has the molecular formula C17H17F2N5O3 and a molecular weight of 377.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
PubChem CID162626857
Molecular FormulaC17H17F2N5O3
Molecular Weight377.35 g/mol
Exact Mass377.13
IUPAC Name2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCc1c(C)nc2nc(NC(=O)C(C)Oc3ccc(F)cc3F)[nH]n2c1=O
InChIInChI=1S/C17H17F2N5O3/c1-4-11-8(2)20-17-22-16(23-24(17)15(11)26)21-14(25)9(3)27-13-6-5-10(18)7-12(13)19/h5-7,9H,4H2,1-3H3,(H2,20,21,22,23,25)
InChIKeyLJGCZUYHGRJPPT-UHFFFAOYSA-N
XLogP1.97
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (CID 162626857) is 2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is CCc1c(C)nc2nc(NC(=O)C(C)Oc3ccc(F)cc3F)[nH]n2c1=O.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The InChIKey is LJGCZUYHGRJPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O3/c1-4-11-8(2)20-17-22-16(23-24(17)15(11)26)21-14(25)9(3)27-13-6-5-10(18)7-12(13)19/h5-7,9H,4H2,1-3H3,(H2,20,21,22,23,25).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide has a molecular weight of 377.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-(6-ethyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 162626857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).