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

C11H15N7O2 — CID 66194049

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
SMILESCNCc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C11H15N7O2/c1-12-4-8-5-18(17-14-8)6-9(19)13-11-16-15-10(20-11)7-2-3-7/h5,7,12H,2-4,6H2,1H3,(H,13,16,19)
InChIKeyVWMOUFSKMHZHBG-UHFFFAOYSA-N
MW277.29 g/mol
LogP-0.10
Rot. Bonds6

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

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide (PubChem CID 66194049) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
PubChem CID66194049
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
SMILESCNCc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C11H15N7O2/c1-12-4-8-5-18(17-14-8)6-9(19)13-11-16-15-10(20-11)7-2-3-7/h5,7,12H,2-4,6H2,1H3,(H,13,16,19)
InChIKeyVWMOUFSKMHZHBG-UHFFFAOYSA-N
XLogP-0.10
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(3-aminopropyl)triazol-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
CID 106221662
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide
CID 66214563
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 62401710
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 66213840
N-(1,3-benzodioxol-5-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214852
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methoxyacetamide
CID 64591903
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79286525
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 66193662
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849
N-(5-fluoro-2-methylphenyl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214830

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide (CID 66194049) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide is CNCc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide?
The InChIKey is VWMOUFSKMHZHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-12-4-8-5-18(17-14-8)6-9(19)13-11-16-15-10(20-11)7-2-3-7/h5,7,12H,2-4,6H2,1H3,(H,13,16,19).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide has a molecular weight of 277.29 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 66194049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).