N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide

C12H14N4O2 — CID 122193654

IUPACN-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1nncc1CO)NCc1ccccc1
InChIInChI=1S/C12H14N4O2/c17-9-11-7-14-15-16(11)8-12(18)13-6-10-4-2-1-3-5-10/h1-5,7,17H,6,8-9H2,(H,13,18)
InChIKeyAGMZMEQYLZCZIH-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.09
Rot. Bonds5

About N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide

N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide (PubChem CID 122193654) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide
PubChem CID122193654
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1nncc1CO)NCc1ccccc1
InChIInChI=1S/C12H14N4O2/c17-9-11-7-14-15-16(11)8-12(18)13-6-10-4-2-1-3-5-10/h1-5,7,17H,6,8-9H2,(H,13,18)
InChIKeyAGMZMEQYLZCZIH-UHFFFAOYSA-N
XLogP0.09
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide 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

(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
(2R)-2-acetamido-N-benzyl-3-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]propanamide
CID 44543286
N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide
CID 51050637
2-[4-(aminomethyl)triazol-1-yl]-N-benzylacetamide
CID 55029568
1-[2-(Benzylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134419
N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62401095
N-benzyl-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]acetamide
CID 116006357
N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide
CID 122193569
N-benzyl-2-[4-(4-hydroxybutyl)triazol-1-yl]acetamide
CID 122193637
(1-Benzyl-1H-1,2,3-triazol-5-yl)methanol
CID 12654356
Amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol
CID 123186808
(1-(4-vinylbenzyl)-1H-1,2,3-triazol-4-yl)methanol
CID 121200083

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide (CID 122193654) is N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide is O=C(Cn1nncc1CO)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide?
The InChIKey is AGMZMEQYLZCZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-9-11-7-14-15-16(11)8-12(18)13-6-10-4-2-1-3-5-10/h1-5,7,17H,6,8-9H2,(H,13,18).
What are the key properties of N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide?
N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 122193654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).