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

C16H22N4O — CID 71974191

IUPAC2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
SMILESCCc1nc(CC)n(CC(=O)NCc2ccccc2C)n1
InChIInChI=1S/C16H22N4O/c1-4-14-18-15(5-2)20(19-14)11-16(21)17-10-13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3,(H,17,21)
InChIKeySWDRQBPZJICMNA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.03
Rot. Bonds6

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

2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 71974191) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID71974191
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
SMILESCCc1nc(CC)n(CC(=O)NCc2ccccc2C)n1
InChIInChI=1S/C16H22N4O/c1-4-14-18-15(5-2)20(19-14)11-16(21)17-10-13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3,(H,17,21)
InChIKeySWDRQBPZJICMNA-UHFFFAOYSA-N
XLogP2.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
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-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide (CID 71974191) is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide is CCc1nc(CC)n(CC(=O)NCc2ccccc2C)n1.
What is the InChIKey of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is SWDRQBPZJICMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-14-18-15(5-2)20(19-14)11-16(21)17-10-13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3,(H,17,21).
What are the key properties of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide?
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 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-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 71974191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).