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

C10H13N5O2 — CID 23607412

IUPACN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCCc1cc(=O)n2[nH]c(NC(C)=O)nc2n1
InChIInChI=1S/C10H13N5O2/c1-3-4-7-5-8(17)15-10(12-7)13-9(14-15)11-6(2)16/h5H,3-4H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyRWOCNPCEAINGIB-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.33
Rot. Bonds3

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

N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 23607412) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID23607412
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCCc1cc(=O)n2[nH]c(NC(C)=O)nc2n1
InChIInChI=1S/C10H13N5O2/c1-3-4-7-5-8(17)15-10(12-7)13-9(14-15)11-6(2)16/h5H,3-4H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyRWOCNPCEAINGIB-UHFFFAOYSA-N
XLogP0.33
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 23607412) is N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CCCc1cc(=O)n2[nH]c(NC(C)=O)nc2n1.
What is the InChIKey of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is RWOCNPCEAINGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-4-7-5-8(17)15-10(12-7)13-9(14-15)11-6(2)16/h5H,3-4H2,1-2H3,(H2,11,12,13,14,16).
What are the key properties of N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 235.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 23607412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).