2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C7H7N5O — CID 57105472

IUPAC2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESNC(=O)Cc1nc2ncccn2n1
InChIInChI=1S/C7H7N5O/c8-5(13)4-6-10-7-9-2-1-3-12(7)11-6/h1-3H,4H2,(H2,8,13)
InChIKeyOKGYSTSBVOJNLQ-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.85
Rot. Bonds2

About 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 57105472) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID57105472
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESNC(=O)Cc1nc2ncccn2n1
InChIInChI=1S/C7H7N5O/c8-5(13)4-6-10-7-9-2-1-3-12(7)11-6/h1-3H,4H2,(H2,8,13)
InChIKeyOKGYSTSBVOJNLQ-UHFFFAOYSA-N
XLogP-0.85
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 57105472) is 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is NC(=O)Cc1nc2ncccn2n1.
What is the InChIKey of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is OKGYSTSBVOJNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c8-5(13)4-6-10-7-9-2-1-3-12(7)11-6/h1-3H,4H2,(H2,8,13).
What are the key properties of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 177.17 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 57105472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).