N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

C9H10N6O2 — CID 56643115

IUPACN-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCC(=O)Nc1cnc2ncnn2c1NC(C)=O
InChIInChI=1S/C9H10N6O2/c1-5(16)13-7-3-10-9-11-4-12-15(9)8(7)14-6(2)17/h3-4H,1-2H3,(H,13,16)(H,14,17)
InChIKeyZRJXPRFOANXNMT-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.04
Rot. Bonds2

About N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 56643115) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID56643115
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC NameN-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCC(=O)Nc1cnc2ncnn2c1NC(C)=O
InChIInChI=1S/C9H10N6O2/c1-5(16)13-7-3-10-9-11-4-12-15(9)8(7)14-6(2)17/h3-4H,1-2H3,(H,13,16)(H,14,17)
InChIKeyZRJXPRFOANXNMT-UHFFFAOYSA-N
XLogP0.04
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 56643115) is N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is CC(=O)Nc1cnc2ncnn2c1NC(C)=O.
What is the InChIKey of N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is ZRJXPRFOANXNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-5(16)13-7-3-10-9-11-4-12-15(9)8(7)14-6(2)17/h3-4H,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 234.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetamido-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 56643115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).