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

C12H17N7O2 — CID 106221662

IUPAC2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESNCCCc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C12H17N7O2/c13-5-1-2-9-6-19(18-15-9)7-10(20)14-12-17-16-11(21-12)8-3-4-8/h6,8H,1-5,7,13H2,(H,14,17,20)
InChIKeyFMMMACUYXSKNRH-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.07
Rot. Bonds7

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

2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 106221662) has the molecular formula C12H17N7O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID106221662
Molecular FormulaC12H17N7O2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESNCCCc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C12H17N7O2/c13-5-1-2-9-6-19(18-15-9)7-10(20)14-12-17-16-11(21-12)8-3-4-8/h6,8H,1-5,7,13H2,(H,14,17,20)
InChIKeyFMMMACUYXSKNRH-UHFFFAOYSA-N
XLogP0.07
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide (CID 106221662) is 2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide is NCCCc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1.
What is the InChIKey of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is FMMMACUYXSKNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c13-5-1-2-9-6-19(18-15-9)7-10(20)14-12-17-16-11(21-12)8-3-4-8/h6,8H,1-5,7,13H2,(H,14,17,20).
What are the key properties of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 106221662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).