2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C14H12ClN5O3 — CID 23607374

IUPAC2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(=O)n2[nH]c(NC(=O)COc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C14H12ClN5O3/c1-8-6-12(22)20-14(16-8)18-13(19-20)17-11(21)7-23-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3,(H2,16,17,18,19,21)
InChIKeyUGDBEABBCKNHKK-UHFFFAOYSA-N
MW333.74 g/mol
LogP1.40
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 23607374) has the molecular formula C14H12ClN5O3 and a molecular weight of 333.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID23607374
Molecular FormulaC14H12ClN5O3
Molecular Weight333.74 g/mol
Exact Mass333.06
IUPAC Name2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(=O)n2[nH]c(NC(=O)COc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C14H12ClN5O3/c1-8-6-12(22)20-14(16-8)18-13(19-20)17-11(21)7-23-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3,(H2,16,17,18,19,21)
InChIKeyUGDBEABBCKNHKK-UHFFFAOYSA-N
XLogP1.40
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 23607374) is 2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is Cc1cc(=O)n2[nH]c(NC(=O)COc3ccc(Cl)cc3)nc2n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is UGDBEABBCKNHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O3/c1-8-6-12(22)20-14(16-8)18-13(19-20)17-11(21)7-23-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3,(H2,16,17,18,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 333.74 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 23607374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).