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

C15H21N5O — CID 51050633

IUPAC2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H21N5O/c1-3-19(4-2)12-15(21)16-10-13-11-20(18-17-13)14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H,16,21)
InChIKeyRANDZIJYXSCTSM-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.23
Rot. Bonds7

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

2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide (PubChem CID 51050633) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide
PubChem CID51050633
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H21N5O/c1-3-19(4-2)12-15(21)16-10-13-11-20(18-17-13)14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H,16,21)
InChIKeyRANDZIJYXSCTSM-UHFFFAOYSA-N
XLogP1.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide (CID 51050633) is 2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide is CCN(CC)CC(=O)NCc1cn(-c2ccccc2)nn1.
What is the InChIKey of 2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide?
The InChIKey is RANDZIJYXSCTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-19(4-2)12-15(21)16-10-13-11-20(18-17-13)14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H,16,21).
What are the key properties of 2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide?
2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(1-phenyltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 51050633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).