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

C9H10N6O2 — CID 1491270

IUPACN-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide
SMILESCC(=O)Nc1cc2ncnn2c(NC(C)=O)n1
InChIInChI=1S/C9H10N6O2/c1-5(16)12-7-3-8-10-4-11-15(8)9(14-7)13-6(2)17/h3-4H,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyBNPWQCVTWOPUEZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.04
Rot. Bonds2

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

N-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide (PubChem CID 1491270) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide
PubChem CID1491270
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC NameN-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide
SMILESCC(=O)Nc1cc2ncnn2c(NC(C)=O)n1
InChIInChI=1S/C9H10N6O2/c1-5(16)12-7-3-8-10-4-11-15(8)9(14-7)13-6(2)17/h3-4H,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyBNPWQCVTWOPUEZ-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

Analyze N-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide?
The IUPAC name of N-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide (CID 1491270) is N-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide.
What is the SMILES notation for N-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide?
The canonical SMILES for N-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide is CC(=O)Nc1cc2ncnn2c(NC(C)=O)n1.
What is the InChIKey of N-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide?
The InChIKey is BNPWQCVTWOPUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-5(16)12-7-3-8-10-4-11-15(8)9(14-7)13-6(2)17/h3-4H,1-2H3,(H,12,16)(H,13,14,17).
What are the key properties of N-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide?
N-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-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-(5-acetamido-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 1491270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).