N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide

C10H10N6O3 — CID 66214563

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C10H10N6O3/c17-5-7-3-16(15-12-7)4-8(18)11-10-14-13-9(19-10)6-1-2-6/h3,5-6H,1-2,4H2,(H,11,14,18)
InChIKeyUWNBUDHLQUHSGZ-UHFFFAOYSA-N
MW262.23 g/mol
LogP-0.01
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide (PubChem CID 66214563) has the molecular formula C10H10N6O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide
PubChem CID66214563
Molecular FormulaC10H10N6O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1
InChIInChI=1S/C10H10N6O3/c17-5-7-3-16(15-12-7)4-8(18)11-10-14-13-9(19-10)6-1-2-6/h3,5-6H,1-2,4H2,(H,11,14,18)
InChIKeyUWNBUDHLQUHSGZ-UHFFFAOYSA-N
XLogP-0.01
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide (CID 66214563) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide is O=Cc1cn(CC(=O)Nc2nnc(C3CC3)o2)nn1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide?
The InChIKey is UWNBUDHLQUHSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3/c17-5-7-3-16(15-12-7)4-8(18)11-10-14-13-9(19-10)6-1-2-6/h3,5-6H,1-2,4H2,(H,11,14,18).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide has a molecular weight of 262.23 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 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-formyltriazol-1-yl)acetamide is sourced from PubChem (CID 66214563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).