2-(2H-triazol-4-yl)butanamide

C6H10N4O — CID 90219358

IUPAC2-(2H-triazol-4-yl)butanamide
SMILESCCC(C(N)=O)c1cn[nH]n1
InChIInChI=1S/C6H10N4O/c1-2-4(6(7)11)5-3-8-10-9-5/h3-4H,2H2,1H3,(H2,7,11)(H,8,9,10)
InChIKeyJOBBGXLQCRQPDO-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.22
Rot. Bonds3

About 2-(2H-triazol-4-yl)butanamide

2-(2H-triazol-4-yl)butanamide (PubChem CID 90219358) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(2H-triazol-4-yl)butanamide.

Molecular Properties

Compound Name2-(2H-triazol-4-yl)butanamide
PubChem CID90219358
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-(2H-triazol-4-yl)butanamide
SMILESCCC(C(N)=O)c1cn[nH]n1
InChIInChI=1S/C6H10N4O/c1-2-4(6(7)11)5-3-8-10-9-5/h3-4H,2H2,1H3,(H2,7,11)(H,8,9,10)
InChIKeyJOBBGXLQCRQPDO-UHFFFAOYSA-N
XLogP-0.22
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-triazol-4-yl)butanamide?
The IUPAC name of 2-(2H-triazol-4-yl)butanamide (CID 90219358) is 2-(2H-triazol-4-yl)butanamide.
What is the SMILES notation for 2-(2H-triazol-4-yl)butanamide?
The canonical SMILES for 2-(2H-triazol-4-yl)butanamide is CCC(C(N)=O)c1cn[nH]n1.
What is the InChIKey of 2-(2H-triazol-4-yl)butanamide?
The InChIKey is JOBBGXLQCRQPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-4(6(7)11)5-3-8-10-9-5/h3-4H,2H2,1H3,(H2,7,11)(H,8,9,10).
What are the key properties of 2-(2H-triazol-4-yl)butanamide?
2-(2H-triazol-4-yl)butanamide has a molecular weight of 154.17 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-triazol-4-yl)butanamide is sourced from PubChem (CID 90219358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).