2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide

C9H13N5O3 — CID 66214600

IUPAC2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)Cn1cc(C=O)nn1
InChIInChI=1S/C9H13N5O3/c1-6(2)10-9(17)11-8(16)4-14-3-7(5-15)12-13-14/h3,5-6H,4H2,1-2H3,(H2,10,11,16,17)
InChIKeyJSXMKHSXRHTPTI-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.68
Rot. Bonds4

About 2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide

2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 66214600) has the molecular formula C9H13N5O3 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID66214600
Molecular FormulaC9H13N5O3
Molecular Weight239.24 g/mol
Exact Mass239.10
IUPAC Name2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)Cn1cc(C=O)nn1
InChIInChI=1S/C9H13N5O3/c1-6(2)10-9(17)11-8(16)4-14-3-7(5-15)12-13-14/h3,5-6H,4H2,1-2H3,(H2,10,11,16,17)
InChIKeyJSXMKHSXRHTPTI-UHFFFAOYSA-N
XLogP-0.68
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 66213760
N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216178
2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 66213794
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496
N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
CID 66215796
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66215009
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(4-formyltriazol-1-yl)acetamide
CID 66214563
N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66215979

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide (CID 66214600) is 2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)Cn1cc(C=O)nn1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is JSXMKHSXRHTPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-6(2)10-9(17)11-8(16)4-14-3-7(5-15)12-13-14/h3,5-6H,4H2,1-2H3,(H2,10,11,16,17).
What are the key properties of 2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 239.24 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 66214600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).