N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide

C9H16N4O2 — CID 79833738

IUPACN-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide
SMILESCCC(C)(O)CNC(=O)Cn1ccnn1
InChIInChI=1S/C9H16N4O2/c1-3-9(2,15)7-10-8(14)6-13-5-4-11-12-13/h4-5,15H,3,6-7H2,1-2H3,(H,10,14)
InChIKeyNMGDIOQUTSWICD-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds5

About N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide

N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide (PubChem CID 79833738) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide
PubChem CID79833738
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide
SMILESCCC(C)(O)CNC(=O)Cn1ccnn1
InChIInChI=1S/C9H16N4O2/c1-3-9(2,15)7-10-8(14)6-13-5-4-11-12-13/h4-5,15H,3,6-7H2,1-2H3,(H,10,14)
InChIKeyNMGDIOQUTSWICD-UHFFFAOYSA-N
XLogP-0.44
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide (CID 79833738) is N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide is CCC(C)(O)CNC(=O)Cn1ccnn1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide?
The InChIKey is NMGDIOQUTSWICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-9(2,15)7-10-8(14)6-13-5-4-11-12-13/h4-5,15H,3,6-7H2,1-2H3,(H,10,14).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide?
N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 79833738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).