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

C6H10N4O — CID 5203014

IUPACN-(1,2,4-triazol-4-yl)butanamide
SMILESCCCC(=O)Nn1cnnc1
InChIInChI=1S/C6H10N4O/c1-2-3-6(11)9-10-4-7-8-5-10/h4-5H,2-3H2,1H3,(H,9,11)
InChIKeyGTDJDRZQNNLKPG-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.15
Rot. Bonds3

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

N-(1,2,4-triazol-4-yl)butanamide (PubChem CID 5203014) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)butanamide
PubChem CID5203014
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-(1,2,4-triazol-4-yl)butanamide
SMILESCCCC(=O)Nn1cnnc1
InChIInChI=1S/C6H10N4O/c1-2-3-6(11)9-10-4-7-8-5-10/h4-5H,2-3H2,1H3,(H,9,11)
InChIKeyGTDJDRZQNNLKPG-UHFFFAOYSA-N
XLogP0.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.15
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)butanamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)butanamide (CID 5203014) is N-(1,2,4-triazol-4-yl)butanamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)butanamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)butanamide is CCCC(=O)Nn1cnnc1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)butanamide?
The InChIKey is GTDJDRZQNNLKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-3-6(11)9-10-4-7-8-5-10/h4-5H,2-3H2,1H3,(H,9,11).
What are the key properties of N-(1,2,4-triazol-4-yl)butanamide?
N-(1,2,4-triazol-4-yl)butanamide has a molecular weight of 154.17 g/mol, XLogP of 0.15, 3 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)butanamide is sourced from PubChem (CID 5203014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).