2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C9H13N7O2 — CID 66214232

IUPAC2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCNCc1cn(CC(=O)Nc2nnc(C)o2)nn1
InChIInChI=1S/C9H13N7O2/c1-6-12-14-9(18-6)11-8(17)5-16-4-7(3-10-2)13-15-16/h4,10H,3,5H2,1-2H3,(H,11,14,17)
InChIKeyTZPGRHHQCBQVFV-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.67
Rot. Bonds5

About 2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 66214232) has the molecular formula C9H13N7O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID66214232
Molecular FormulaC9H13N7O2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCNCc1cn(CC(=O)Nc2nnc(C)o2)nn1
InChIInChI=1S/C9H13N7O2/c1-6-12-14-9(18-6)11-8(17)5-16-4-7(3-10-2)13-15-16/h4,10H,3,5H2,1-2H3,(H,11,14,17)
InChIKeyTZPGRHHQCBQVFV-UHFFFAOYSA-N
XLogP-0.67
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 66214232) is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is CNCc1cn(CC(=O)Nc2nnc(C)o2)nn1.
What is the InChIKey of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is TZPGRHHQCBQVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O2/c1-6-12-14-9(18-6)11-8(17)5-16-4-7(3-10-2)13-15-16/h4,10H,3,5H2,1-2H3,(H,11,14,17).
What are the key properties of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 251.25 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 66214232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).