N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide

C19H20N4O — CID 101126712

IUPACN-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H20N4O/c1-19(2,3)18(24)20-17-16(14-10-6-4-7-11-14)21-23(22-17)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,20,22,24)
InChIKeyAGQVJDCFWQQHFE-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.92
Rot. Bonds3

About N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide

N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide (PubChem CID 101126712) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide
PubChem CID101126712
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H20N4O/c1-19(2,3)18(24)20-17-16(14-10-6-4-7-11-14)21-23(22-17)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,20,22,24)
InChIKeyAGQVJDCFWQQHFE-UHFFFAOYSA-N
XLogP3.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide (CID 101126712) is N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide?
The InChIKey is AGQVJDCFWQQHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-19(2,3)18(24)20-17-16(14-10-6-4-7-11-14)21-23(22-17)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,20,22,24).
What are the key properties of N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide?
N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide has a molecular weight of 320.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 101126712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).