2-(triazol-1-yl)butanamide

C6H10N4O — CID 67522389

IUPAC2-(triazol-1-yl)butanamide
SMILESCCC(C(N)=O)n1ccnn1
InChIInChI=1S/C6H10N4O/c1-2-5(6(7)11)10-4-3-8-9-10/h3-5H,2H2,1H3,(H2,7,11)
InChIKeyMZLCDVZIUBLZRI-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.29
Rot. Bonds3

About 2-(triazol-1-yl)butanamide

2-(triazol-1-yl)butanamide (PubChem CID 67522389) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(triazol-1-yl)butanamide.

Molecular Properties

Compound Name2-(triazol-1-yl)butanamide
PubChem CID67522389
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-(triazol-1-yl)butanamide
SMILESCCC(C(N)=O)n1ccnn1
InChIInChI=1S/C6H10N4O/c1-2-5(6(7)11)10-4-3-8-9-10/h3-5H,2H2,1H3,(H2,7,11)
InChIKeyMZLCDVZIUBLZRI-UHFFFAOYSA-N
XLogP-0.29
TPSA73.80 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 ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-yl)butanamide?
The IUPAC name of 2-(triazol-1-yl)butanamide (CID 67522389) is 2-(triazol-1-yl)butanamide.
What is the SMILES notation for 2-(triazol-1-yl)butanamide?
The canonical SMILES for 2-(triazol-1-yl)butanamide is CCC(C(N)=O)n1ccnn1.
What is the InChIKey of 2-(triazol-1-yl)butanamide?
The InChIKey is MZLCDVZIUBLZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-5(6(7)11)10-4-3-8-9-10/h3-5H,2H2,1H3,(H2,7,11).
What are the key properties of 2-(triazol-1-yl)butanamide?
2-(triazol-1-yl)butanamide has a molecular weight of 154.17 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)butanamide is sourced from PubChem (CID 67522389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).