N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide

C15H20N4O2 — CID 122193569

IUPACN-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide
SMILESCCC(O)Cc1cn(CC(=O)NCc2ccccc2)nn1
InChIInChI=1S/C15H20N4O2/c1-2-14(20)8-13-10-19(18-17-13)11-15(21)16-9-12-6-4-3-5-7-12/h3-7,10,14,20H,2,8-9,11H2,1H3,(H,16,21)
InChIKeyNGHYFACVNQWAKF-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.91
Rot. Bonds7

About N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide

N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide (PubChem CID 122193569) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide
PubChem CID122193569
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide
SMILESCCC(O)Cc1cn(CC(=O)NCc2ccccc2)nn1
InChIInChI=1S/C15H20N4O2/c1-2-14(20)8-13-10-19(18-17-13)11-15(21)16-9-12-6-4-3-5-7-12/h3-7,10,14,20H,2,8-9,11H2,1H3,(H,16,21)
InChIKeyNGHYFACVNQWAKF-UHFFFAOYSA-N
XLogP0.91
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide
CID 51050637
N-ethyl-2-(4-phenyl-1H-1,2,3-triazol-1-yl)acetamide
CID 53317360
2-[4-(aminomethyl)triazol-1-yl]-N-benzylacetamide
CID 55029568
2-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 62400567
N-benzyl-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62401095
3-[1-[2-(Benzylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 107461035
N-benzyl-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]acetamide
CID 116006357
N-benzyl-2-[4-(4-hydroxybutyl)triazol-1-yl]acetamide
CID 122193637
5-[1-[2-(Benzylamino)-2-oxoethyl]triazol-4-yl]pentanoic acid
CID 122193638
tert-butyl N-[[1-[2-(benzylamino)-2-oxoethyl]triazol-4-yl]methyl]carbamate
CID 122193639
N-benzyl-2-[5-(hydroxymethyl)triazol-1-yl]acetamide
CID 122193654
(2S,3S,4R)-2-(1-benzyltriazol-4-yl)pyrrolidine-3,4-diol
CID 145963773

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide (CID 122193569) is N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide is CCC(O)Cc1cn(CC(=O)NCc2ccccc2)nn1.
What is the InChIKey of N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide?
The InChIKey is NGHYFACVNQWAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-14(20)8-13-10-19(18-17-13)11-15(21)16-9-12-6-4-3-5-7-12/h3-7,10,14,20H,2,8-9,11H2,1H3,(H,16,21).
What are the key properties of N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide?
N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2-hydroxybutyl)triazol-1-yl]acetamide is sourced from PubChem (CID 122193569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).