2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

C7H7N5O — CID 84767265

IUPAC2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESNCC(=O)c1cnc2ncnn2c1
InChIInChI=1S/C7H7N5O/c8-1-6(13)5-2-9-7-10-4-11-12(7)3-5/h2-4H,1,8H2
InChIKeyZTNIRNGJGNCRDB-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.73
Rot. Bonds2

About 2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 84767265) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID84767265
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESNCC(=O)c1cnc2ncnn2c1
InChIInChI=1S/C7H7N5O/c8-1-6(13)5-2-9-7-10-4-11-12(7)3-5/h2-4H,1,8H2
InChIKeyZTNIRNGJGNCRDB-UHFFFAOYSA-N
XLogP-0.73
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 84767265) is 2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is NCC(=O)c1cnc2ncnn2c1.
What is the InChIKey of 2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is ZTNIRNGJGNCRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c8-1-6(13)5-2-9-7-10-4-11-12(7)3-5/h2-4H,1,8H2.
What are the key properties of 2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 177.17 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 84767265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).