N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide

C16H23N5O — CID 51050637

IUPACN-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C16H23N5O/c1-3-20(4-2)13-16(22)17-10-15-12-21(19-18-15)11-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,17,22)
InChIKeyIUZVSWSJAOEDJP-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.28
Rot. Bonds8

About N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide

N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide (PubChem CID 51050637) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide
PubChem CID51050637
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C16H23N5O/c1-3-20(4-2)13-16(22)17-10-15-12-21(19-18-15)11-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,17,22)
InChIKeyIUZVSWSJAOEDJP-UHFFFAOYSA-N
XLogP1.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide (CID 51050637) is N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)NCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide?
The InChIKey is IUZVSWSJAOEDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-20(4-2)13-16(22)17-10-15-12-21(19-18-15)11-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,17,22).
What are the key properties of N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide?
N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltriazol-4-yl)methyl]-2-(diethylamino)acetamide is sourced from PubChem (CID 51050637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).