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

C9H11N5O — CID 716726

IUPACN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C9H11N5O/c1-5-4-6(2)14-9(10-5)12-8(13-14)11-7(3)15/h4H,1-3H3,(H,11,13,15)
InChIKeyGGBFIPHYNRZHPQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.70
Rot. Bonds1

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

N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 716726) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID716726
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C9H11N5O/c1-5-4-6(2)14-9(10-5)12-8(13-14)11-7(3)15/h4H,1-3H3,(H,11,13,15)
InChIKeyGGBFIPHYNRZHPQ-UHFFFAOYSA-N
XLogP0.70
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 716726) is N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CC(=O)Nc1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is GGBFIPHYNRZHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-5-4-6(2)14-9(10-5)12-8(13-14)11-7(3)15/h4H,1-3H3,(H,11,13,15).
What are the key properties of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 205.22 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 716726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).