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

C10H13N7O2 — CID 62054663

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESNCc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C10H13N7O2/c11-3-7-4-17(16-13-7)5-8(18)12-10-15-14-9(19-10)6-1-2-6/h4,6H,1-3,5,11H2,(H,12,15,18)
InChIKeyPISYLZFQWHEFGT-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.36
Rot. Bonds5

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

2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 62054663) has the molecular formula C10H13N7O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID62054663
Molecular FormulaC10H13N7O2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESNCc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C10H13N7O2/c11-3-7-4-17(16-13-7)5-8(18)12-10-15-14-9(19-10)6-1-2-6/h4,6H,1-3,5,11H2,(H,12,15,18)
InChIKeyPISYLZFQWHEFGT-UHFFFAOYSA-N
XLogP-0.36
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide (CID 62054663) is 2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide is NCc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is PISYLZFQWHEFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2/c11-3-7-4-17(16-13-7)5-8(18)12-10-15-14-9(19-10)6-1-2-6/h4,6H,1-3,5,11H2,(H,12,15,18).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 263.26 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 62054663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).