N-(1H-1,2,4-triazol-5-yl)propanamide

C5H8N4O — CID 18935602

IUPACN-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O/c1-2-4(10)8-5-6-3-7-9-5/h3H,2H2,1H3,(H2,6,7,8,9,10)
InChIKeyYZDOTVLVWXHISA-UHFFFAOYSA-N
MW140.15 g/mol
LogP0.15
Rot. Bonds2

About N-(1H-1,2,4-triazol-5-yl)propanamide

N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 18935602) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID18935602
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O/c1-2-4(10)8-5-6-3-7-9-5/h3H,2H2,1H3,(H2,6,7,8,9,10)
InChIKeyYZDOTVLVWXHISA-UHFFFAOYSA-N
XLogP0.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)propanamide (CID 18935602) is N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)propanamide is CCC(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is YZDOTVLVWXHISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-2-4(10)8-5-6-3-7-9-5/h3H,2H2,1H3,(H2,6,7,8,9,10).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)propanamide?
N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 140.15 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 18935602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).