2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide

C17H16N4O — CID 59363214

IUPAC2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H16N4O/c1-18-15(22)12-21-17(14-10-6-3-7-11-14)16(19-20-21)13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,22)
InChIKeyGZLCFGAYPJBBSZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.36
Rot. Bonds4

About 2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide

2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide (PubChem CID 59363214) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide
PubChem CID59363214
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H16N4O/c1-18-15(22)12-21-17(14-10-6-3-7-11-14)16(19-20-21)13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,22)
InChIKeyGZLCFGAYPJBBSZ-UHFFFAOYSA-N
XLogP2.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide (CID 59363214) is 2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide is CNC(=O)Cn1nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide?
The InChIKey is GZLCFGAYPJBBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-18-15(22)12-21-17(14-10-6-3-7-11-14)16(19-20-21)13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,22).
What are the key properties of 2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide?
2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide has a molecular weight of 292.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 59363214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).