2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide

C8H14N4O2 — CID 62901797

IUPAC2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1cc(CCO)nn1
InChIInChI=1S/C8H14N4O2/c1-2-7(8(9)14)12-5-6(3-4-13)10-11-12/h5,7,13H,2-4H2,1H3,(H2,9,14)
InChIKeyVXTAFBQAXXRNSG-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.75
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide

2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide (PubChem CID 62901797) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide
PubChem CID62901797
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1cc(CCO)nn1
InChIInChI=1S/C8H14N4O2/c1-2-7(8(9)14)12-5-6(3-4-13)10-11-12/h5,7,13H,2-4H2,1H3,(H2,9,14)
InChIKeyVXTAFBQAXXRNSG-UHFFFAOYSA-N
XLogP-0.75
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide (CID 62901797) is 2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide is CCC(C(N)=O)n1cc(CCO)nn1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide?
The InChIKey is VXTAFBQAXXRNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-7(8(9)14)12-5-6(3-4-13)10-11-12/h5,7,13H,2-4H2,1H3,(H2,9,14).
What are the key properties of 2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide?
2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide has a molecular weight of 198.23 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide is sourced from PubChem (CID 62901797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).