N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide

C14H19N5O — CID 107366214

IUPACN-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide
SMILESNCCCN(Cc1ccccc1)C(=O)Cn1ccnn1
InChIInChI=1S/C14H19N5O/c15-7-4-9-18(11-13-5-2-1-3-6-13)14(20)12-19-10-8-16-17-19/h1-3,5-6,8,10H,4,7,9,11-12,15H2
InChIKeyKRTICKXWJVHUSX-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.66
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide

N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide (PubChem CID 107366214) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide
PubChem CID107366214
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide
SMILESNCCCN(Cc1ccccc1)C(=O)Cn1ccnn1
InChIInChI=1S/C14H19N5O/c15-7-4-9-18(11-13-5-2-1-3-6-13)14(20)12-19-10-8-16-17-19/h1-3,5-6,8,10H,4,7,9,11-12,15H2
InChIKeyKRTICKXWJVHUSX-UHFFFAOYSA-N
XLogP0.66
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide
CID 120649399
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 120648313
N-(3-aminopropyl)-N-benzyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 120649665
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 120648461
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylacetamide
CID 107366137
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-[(3-bromophenyl)methyl]-N-methyl-2-(triazol-1-yl)acetamide
CID 79832663
N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide
CID 120648217

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide (CID 107366214) is N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide is NCCCN(Cc1ccccc1)C(=O)Cn1ccnn1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide?
The InChIKey is KRTICKXWJVHUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-7-4-9-18(11-13-5-2-1-3-6-13)14(20)12-19-10-8-16-17-19/h1-3,5-6,8,10H,4,7,9,11-12,15H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide?
N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 107366214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).