N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide

C10H18N4O2 — CID 103825183

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide
SMILESCC(C)(CCO)CNC(=O)Cn1ccnn1
InChIInChI=1S/C10H18N4O2/c1-10(2,3-6-15)8-11-9(16)7-14-5-4-12-13-14/h4-5,15H,3,6-8H2,1-2H3,(H,11,16)
InChIKeyQIWHEXNIIDXHOG-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.20
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide (PubChem CID 103825183) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide
PubChem CID103825183
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide
SMILESCC(C)(CCO)CNC(=O)Cn1ccnn1
InChIInChI=1S/C10H18N4O2/c1-10(2,3-6-15)8-11-9(16)7-14-5-4-12-13-14/h4-5,15H,3,6-8H2,1-2H3,(H,11,16)
InChIKeyQIWHEXNIIDXHOG-UHFFFAOYSA-N
XLogP-0.20
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide
CID 81484813
3,3-dimethyl-1-(triazol-1-yl)butan-2-one
CID 19813968
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
ethyl (2S)-2-methyl-2-phenyl-3-[[2-(triazol-1-yl)acetyl]amino]propanoate
CID 99790995
(2S)-3,3-dimethyl-2-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 115348128
N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 106147925
2,2-dimethyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 115427037
N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide
CID 115283363
2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid
CID 106107864
2-hydroxy-2-methyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 66173368
5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid
CID 115348185
N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
CID 104981673

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide (CID 103825183) is N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide is CC(C)(CCO)CNC(=O)Cn1ccnn1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide?
The InChIKey is QIWHEXNIIDXHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,3-6-15)8-11-9(16)7-14-5-4-12-13-14/h4-5,15H,3,6-8H2,1-2H3,(H,11,16).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide has a molecular weight of 226.28 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 103825183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).