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

C5H8N4O — CID 68517465

IUPAC3-(2H-triazol-4-yl)propanamide
SMILESNC(=O)CCc1cn[nH]n1
InChIInChI=1S/C5H8N4O/c6-5(10)2-1-4-3-7-9-8-4/h3H,1-2H2,(H2,6,10)(H,7,8,9)
InChIKeyVSYZZVKUVPJALK-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.78
Rot. Bonds3

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

3-(2H-triazol-4-yl)propanamide (PubChem CID 68517465) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 3-(2H-triazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(2H-triazol-4-yl)propanamide
PubChem CID68517465
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name3-(2H-triazol-4-yl)propanamide
SMILESNC(=O)CCc1cn[nH]n1
InChIInChI=1S/C5H8N4O/c6-5(10)2-1-4-3-7-9-8-4/h3H,1-2H2,(H2,6,10)(H,7,8,9)
InChIKeyVSYZZVKUVPJALK-UHFFFAOYSA-N
XLogP-0.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-triazol-4-yl)propanamide?
The IUPAC name of 3-(2H-triazol-4-yl)propanamide (CID 68517465) is 3-(2H-triazol-4-yl)propanamide.
What is the SMILES notation for 3-(2H-triazol-4-yl)propanamide?
The canonical SMILES for 3-(2H-triazol-4-yl)propanamide is NC(=O)CCc1cn[nH]n1.
What is the InChIKey of 3-(2H-triazol-4-yl)propanamide?
The InChIKey is VSYZZVKUVPJALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-5(10)2-1-4-3-7-9-8-4/h3H,1-2H2,(H2,6,10)(H,7,8,9).
What are the key properties of 3-(2H-triazol-4-yl)propanamide?
3-(2H-triazol-4-yl)propanamide has a molecular weight of 140.15 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-triazol-4-yl)propanamide is sourced from PubChem (CID 68517465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).