2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide

C15H21N5O — CID 106220964

IUPAC2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(CCCN)nn2)c(C)c1
InChIInChI=1S/C15H21N5O/c1-11-5-6-14(12(2)8-11)17-15(21)10-20-9-13(18-19-20)4-3-7-16/h5-6,8-9H,3-4,7,10,16H2,1-2H3,(H,17,21)
InChIKeyXZUKSWZDUVBMAY-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.42
Rot. Bonds6

About 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide

2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 106220964) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID106220964
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(CCCN)nn2)c(C)c1
InChIInChI=1S/C15H21N5O/c1-11-5-6-14(12(2)8-11)17-15(21)10-20-9-13(18-19-20)4-3-7-16/h5-6,8-9H,3-4,7,10,16H2,1-2H3,(H,17,21)
InChIKeyXZUKSWZDUVBMAY-UHFFFAOYSA-N
XLogP1.42
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 116642311
2-[4-(3-aminopropyl)triazol-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 106220930
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 106221500
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46868049
methyl N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]carbamate
CID 106221194
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 116642027
2-[4-(4-aminobutyl)triazol-1-yl]-N-propan-2-ylacetamide
CID 106209238
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 106220994
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 106220901
2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 116641828

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide (CID 106220964) is 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(CCCN)nn2)c(C)c1.
What is the InChIKey of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is XZUKSWZDUVBMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-5-6-14(12(2)8-11)17-15(21)10-20-9-13(18-19-20)4-3-7-16/h5-6,8-9H,3-4,7,10,16H2,1-2H3,(H,17,21).
What are the key properties of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 106220964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).