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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(methylaminomethyl)triazol-1-yl]butanamide
CID 66214044
2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62401695
2-[4-[(tert-butylamino)methyl]triazol-1-yl]butanamide
CID 66194629
2-[1-(2-ethylbutyl)triazol-4-yl]ethanol
CID 82929775
3-(4-butyltriazol-1-yl)octan-2-one
CID 163428845
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]propan-1-one
CID 62399439
2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 146104009
methyl (2S)-3-phenyl-2-(4-propyltriazol-1-yl)propanoate
CID 102385646
4-amino-1-(1-amino-1-oxobutan-2-yl)pyrazole-3-carboxylic acid
CID 107344037
2-(1-pentan-3-yltriazol-4-yl)acetic acid
CID 107461337
1-(1-methoxy-1-oxobutan-2-yl)triazole-4-carboxylic acid
CID 82202502
1-[4-(3-methylbutyl)triazol-1-yl]propan-1-ol
CID 130383221

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).