2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide

C10H18N4O2 — CID 82211248

IUPAC2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnc(CO)c1CC(C)C
InChIInChI=1S/C10H18N4O2/c1-7(2)4-9-8(6-15)12-13-14(9)5-10(16)11-3/h7,15H,4-6H2,1-3H3,(H,11,16)
InChIKeyJMZVZEKYORYYSN-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.29
Rot. Bonds5

About 2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide

2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide (PubChem CID 82211248) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide
PubChem CID82211248
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnc(CO)c1CC(C)C
InChIInChI=1S/C10H18N4O2/c1-7(2)4-9-8(6-15)12-13-14(9)5-10(16)11-3/h7,15H,4-6H2,1-3H3,(H,11,16)
InChIKeyJMZVZEKYORYYSN-UHFFFAOYSA-N
XLogP-0.29
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 82211268
2-[5-[(4-chlorophenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 94946248
[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
CID 82211038
2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide
CID 82211292
5-(2-methylpropyl)-1-[2-(2-methylpropylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82202249
2-[5-(3,4-dimethylphenyl)-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 82211263
1-(carboxymethyl)-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 82202252
ethyl 1-[3-(methylamino)-3-oxopropyl]-5-(2-methylpropyl)triazole-4-carboxylate
CID 103108220
[1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol
CID 82203633
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645744
2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide
CID 82211309
[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol
CID 82208557

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide (CID 82211248) is 2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nnc(CO)c1CC(C)C.
What is the InChIKey of 2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide?
The InChIKey is JMZVZEKYORYYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)4-9-8(6-15)12-13-14(9)5-10(16)11-3/h7,15H,4-6H2,1-3H3,(H,11,16).
What are the key properties of 2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide?
2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide has a molecular weight of 226.28 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 82211248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).