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

C8H9N5O2 — CID 22160351

IUPACN-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C8H9N5O2/c1-5(14)9-3-6-2-7(15)13-8(12-6)10-4-11-13/h2,4H,3H2,1H3,(H,9,14)(H,10,11,12)
InChIKeyWGQLOSCKJBKJKP-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.95
Rot. Bonds2

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

N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide (PubChem CID 22160351) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
PubChem CID22160351
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC NameN-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C8H9N5O2/c1-5(14)9-3-6-2-7(15)13-8(12-6)10-4-11-13/h2,4H,3H2,1H3,(H,9,14)(H,10,11,12)
InChIKeyWGQLOSCKJBKJKP-UHFFFAOYSA-N
XLogP-0.95
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The IUPAC name of N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide (CID 22160351) is N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The canonical SMILES for N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide is CC(=O)NCc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The InChIKey is WGQLOSCKJBKJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-5(14)9-3-6-2-7(15)13-8(12-6)10-4-11-13/h2,4H,3H2,1H3,(H,9,14)(H,10,11,12).
What are the key properties of N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide has a molecular weight of 207.19 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide is sourced from PubChem (CID 22160351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).