2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide

C17H21N7O — CID 52940820

IUPAC2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide
SMILESNc1ncc(CCCc2cn(CC(=O)NCc3ccccc3)nn2)[nH]1
InChIInChI=1S/C17H21N7O/c18-17-20-10-14(21-17)7-4-8-15-11-24(23-22-15)12-16(25)19-9-13-5-2-1-3-6-13/h1-3,5-6,10-11H,4,7-9,12H2,(H,19,25)(H3,18,20,21)
InChIKeyAYNGKZCMZUKWCW-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.08
Rot. Bonds8

About 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide

2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide (PubChem CID 52940820) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide
PubChem CID52940820
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide
SMILESNc1ncc(CCCc2cn(CC(=O)NCc3ccccc3)nn2)[nH]1
InChIInChI=1S/C17H21N7O/c18-17-20-10-14(21-17)7-4-8-15-11-24(23-22-15)12-16(25)19-9-13-5-2-1-3-6-13/h1-3,5-6,10-11H,4,7-9,12H2,(H,19,25)(H3,18,20,21)
InChIKeyAYNGKZCMZUKWCW-UHFFFAOYSA-N
XLogP1.08
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide (CID 52940820) is 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide is Nc1ncc(CCCc2cn(CC(=O)NCc3ccccc3)nn2)[nH]1.
What is the InChIKey of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide?
The InChIKey is AYNGKZCMZUKWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c18-17-20-10-14(21-17)7-4-8-15-11-24(23-22-15)12-16(25)19-9-13-5-2-1-3-6-13/h1-3,5-6,10-11H,4,7-9,12H2,(H,19,25)(H3,18,20,21).
What are the key properties of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide?
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide has a molecular weight of 339.40 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide is sourced from PubChem (CID 52940820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).