N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C15H21N5O — CID 66216252

IUPACN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCNCc1cn(CC(=O)N(C)Cc2ccc(C)cc2)nn1
InChIInChI=1S/C15H21N5O/c1-12-4-6-13(7-5-12)9-19(3)15(21)11-20-10-14(8-16-2)17-18-20/h4-7,10,16H,8-9,11H2,1-3H3
InChIKeySQGNADJMXNQLHS-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.96
Rot. Bonds6

About N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 66216252) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID66216252
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCNCc1cn(CC(=O)N(C)Cc2ccc(C)cc2)nn1
InChIInChI=1S/C15H21N5O/c1-12-4-6-13(7-5-12)9-19(3)15(21)11-20-10-14(8-16-2)17-18-20/h4-7,10,16H,8-9,11H2,1-3H3
InChIKeySQGNADJMXNQLHS-UHFFFAOYSA-N
XLogP0.96
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62054458
2-[4-(aminomethyl)triazol-1-yl]-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 115459306
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55067141
N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66194702
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 62400746
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-bromophenyl)methyl]-N-methylacetamide
CID 115459471
2-[4-(4-aminobutyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 106209265
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide
CID 66205413
2-[4-(aminomethyl)triazol-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 115459393

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 66216252) is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide is CNCc1cn(CC(=O)N(C)Cc2ccc(C)cc2)nn1.
What is the InChIKey of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is SQGNADJMXNQLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-4-6-13(7-5-12)9-19(3)15(21)11-20-10-14(8-16-2)17-18-20/h4-7,10,16H,8-9,11H2,1-3H3.
What are the key properties of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 287.37 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 66216252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).