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

C16H16ClN5O3 — CID 6485807

IUPAC2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCCc1cc(=O)n2[nH]c(NC(=O)COc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C16H16ClN5O3/c1-2-3-11-8-14(24)22-16(18-11)20-15(21-22)19-13(23)9-25-12-6-4-10(17)5-7-12/h4-8H,2-3,9H2,1H3,(H2,18,19,20,21,23)
InChIKeyHPERWJQPSOCXEI-UHFFFAOYSA-N
MW361.79 g/mol
LogP2.04
Rot. Bonds6

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

2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 6485807) has the molecular formula C16H16ClN5O3 and a molecular weight of 361.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID6485807
Molecular FormulaC16H16ClN5O3
Molecular Weight361.79 g/mol
Exact Mass361.09
IUPAC Name2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCCc1cc(=O)n2[nH]c(NC(=O)COc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C16H16ClN5O3/c1-2-3-11-8-14(24)22-16(18-11)20-15(21-22)19-13(23)9-25-12-6-4-10(17)5-7-12/h4-8H,2-3,9H2,1H3,(H2,18,19,20,21,23)
InChIKeyHPERWJQPSOCXEI-UHFFFAOYSA-N
XLogP2.04
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N1-[5-(4-chlorophenoxy)-4-hydroxy-6-methylpyrimidin-2-yl]acetamide
CID 135436082
2-(4-chloro-2-methylphenoxy)-N-(7-hydroxy-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 6485812
5-[(4-chloro-3-fluorophenoxy)methyl]-2-cyclohexa-1,5-dien-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70890339
2-(phenoxymethyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 1265069
2-(2,4-difluorophenoxy)-N-(6-ethyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 162626857
2-(4-chlorophenoxy)-N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 23607374
N-{7-Hydroxy-5-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}-2-phenoxypropanamide
CID 23607376
N-{6-Chloro-7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}-2-phenoxypropanamide
CID 23607390
2-amino-5-(4-chlorophenoxy)-4-methyl-1H-pyrimidin-6-one
CID 135447017
6-(3-chlorophenoxy)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53389903
6-[2-(4-chlorophenoxy)ethyl]-5-(cyclobutadienyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 67415532
2-amino-4-[1-(4-chlorophenoxy)ethyl]-1H-pyrimidin-6-one
CID 136045341

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 6485807) is 2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CCCc1cc(=O)n2[nH]c(NC(=O)COc3ccc(Cl)cc3)nc2n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is HPERWJQPSOCXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3/c1-2-3-11-8-14(24)22-16(18-11)20-15(21-22)19-13(23)9-25-12-6-4-10(17)5-7-12/h4-8H,2-3,9H2,1H3,(H2,18,19,20,21,23).
What are the key properties of 2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 361.79 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 6485807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).