2-(1,2,4-triazol-1-yl)propanamide

C5H8N4O — CID 2768672

IUPAC2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(N)=O)n1cncn1
InChIInChI=1S/C5H8N4O/c1-4(5(6)10)9-3-7-2-8-9/h2-4H,1H3,(H2,6,10)
InChIKeyIGHKIJOLIYQKOO-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.68
Rot. Bonds2

About 2-(1,2,4-triazol-1-yl)propanamide

2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 2768672) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)propanamide
PubChem CID2768672
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(N)=O)n1cncn1
InChIInChI=1S/C5H8N4O/c1-4(5(6)10)9-3-7-2-8-9/h2-4H,1H3,(H2,6,10)
InChIKeyIGHKIJOLIYQKOO-UHFFFAOYSA-N
XLogP-0.68
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)propanamide (CID 2768672) is 2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)propanamide is CC(C(N)=O)n1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is IGHKIJOLIYQKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-4(5(6)10)9-3-7-2-8-9/h2-4H,1H3,(H2,6,10).
What are the key properties of 2-(1,2,4-triazol-1-yl)propanamide?
2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 140.15 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 2768672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).