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

C5H8N4O — CID 4155619

IUPACN-(1,2,4-triazol-4-yl)propanamide
SMILESCCC(=O)Nn1cnnc1
InChIInChI=1S/C5H8N4O/c1-2-5(10)8-9-3-6-7-4-9/h3-4H,2H2,1H3,(H,8,10)
InChIKeyPODLQVWAHJCQTO-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.24
Rot. Bonds2

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

N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 4155619) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)propanamide
PubChem CID4155619
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-(1,2,4-triazol-4-yl)propanamide
SMILESCCC(=O)Nn1cnnc1
InChIInChI=1S/C5H8N4O/c1-2-5(10)8-9-3-6-7-4-9/h3-4H,2H2,1H3,(H,8,10)
InChIKeyPODLQVWAHJCQTO-UHFFFAOYSA-N
XLogP-0.24
TPSA59.81 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 ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)propanamide (CID 4155619) is N-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)propanamide is CCC(=O)Nn1cnnc1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is PODLQVWAHJCQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-2-5(10)8-9-3-6-7-4-9/h3-4H,2H2,1H3,(H,8,10).
What are the key properties of N-(1,2,4-triazol-4-yl)propanamide?
N-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 140.15 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 4155619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).