N-hydroxy-3-(2H-triazol-4-yl)propanamide

C5H8N4O2 — CID 123632839

IUPACN-hydroxy-3-(2H-triazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]n1)NO
InChIInChI=1S/C5H8N4O2/c10-5(8-11)2-1-4-3-6-9-7-4/h3,11H,1-2H2,(H,8,10)(H,6,7,9)
InChIKeyUEQJMZGLLZBJRI-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.76
Rot. Bonds3

About N-hydroxy-3-(2H-triazol-4-yl)propanamide

N-hydroxy-3-(2H-triazol-4-yl)propanamide (PubChem CID 123632839) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is N-hydroxy-3-(2H-triazol-4-yl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(2H-triazol-4-yl)propanamide
PubChem CID123632839
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC NameN-hydroxy-3-(2H-triazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]n1)NO
InChIInChI=1S/C5H8N4O2/c10-5(8-11)2-1-4-3-6-9-7-4/h3,11H,1-2H2,(H,8,10)(H,6,7,9)
InChIKeyUEQJMZGLLZBJRI-UHFFFAOYSA-N
XLogP-0.76
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(2H-triazol-4-yl)propanamide?
The IUPAC name of N-hydroxy-3-(2H-triazol-4-yl)propanamide (CID 123632839) is N-hydroxy-3-(2H-triazol-4-yl)propanamide.
What is the SMILES notation for N-hydroxy-3-(2H-triazol-4-yl)propanamide?
The canonical SMILES for N-hydroxy-3-(2H-triazol-4-yl)propanamide is O=C(CCc1cn[nH]n1)NO.
What is the InChIKey of N-hydroxy-3-(2H-triazol-4-yl)propanamide?
The InChIKey is UEQJMZGLLZBJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c10-5(8-11)2-1-4-3-6-9-7-4/h3,11H,1-2H2,(H,8,10)(H,6,7,9).
What are the key properties of N-hydroxy-3-(2H-triazol-4-yl)propanamide?
N-hydroxy-3-(2H-triazol-4-yl)propanamide has a molecular weight of 156.15 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(2H-triazol-4-yl)propanamide is sourced from PubChem (CID 123632839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).