2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide

C14H19N5O2 — CID 106227595

IUPAC2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCC(N)c1cn(CC(=O)Nc2ccccc2OC)nn1
InChIInChI=1S/C14H19N5O2/c1-3-10(15)12-8-19(18-17-12)9-14(20)16-11-6-4-5-7-13(11)21-2/h4-8,10H,3,9,15H2,1-2H3,(H,16,20)
InChIKeyGNXJPCUWSDFQCQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.34
Rot. Bonds6

About 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide

2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 106227595) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID106227595
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCC(N)c1cn(CC(=O)Nc2ccccc2OC)nn1
InChIInChI=1S/C14H19N5O2/c1-3-10(15)12-8-19(18-17-12)9-14(20)16-11-6-4-5-7-13(11)21-2/h4-8,10H,3,9,15H2,1-2H3,(H,16,20)
InChIKeyGNXJPCUWSDFQCQ-UHFFFAOYSA-N
XLogP1.34
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 106228283
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
2-[4-(1-aminopropyl)triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106227465
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 114419794
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-bromo-2-pyridinyl)acetamide
CID 106227521
2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 114420083
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 114419929
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106228504
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide (CID 106227595) is 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide is CCC(N)c1cn(CC(=O)Nc2ccccc2OC)nn1.
What is the InChIKey of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is GNXJPCUWSDFQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-10(15)12-8-19(18-17-12)9-14(20)16-11-6-4-5-7-13(11)21-2/h4-8,10H,3,9,15H2,1-2H3,(H,16,20).
What are the key properties of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 106227595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).