2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C16H21FN4O — CID 71974202

IUPAC2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCCc1nc(CC)n(CC(=O)N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN4O/c1-4-14-18-15(5-2)21(19-14)11-16(22)20(3)10-12-6-8-13(17)9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeyMNGSBJDYWMXWKW-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.20
Rot. Bonds6

About 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 71974202) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID71974202
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCCc1nc(CC)n(CC(=O)N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN4O/c1-4-14-18-15(5-2)21(19-14)11-16(22)20(3)10-12-6-8-13(17)9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeyMNGSBJDYWMXWKW-UHFFFAOYSA-N
XLogP2.20
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 71974202) is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is CCc1nc(CC)n(CC(=O)N(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is MNGSBJDYWMXWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-4-14-18-15(5-2)21(19-14)11-16(22)20(3)10-12-6-8-13(17)9-7-12/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 304.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 71974202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).