2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide

C14H19N5O — CID 106229529

IUPAC2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
SMILESCCCC(N)c1cn(CC(=O)Nc2ccccc2)nn1
InChIInChI=1S/C14H19N5O/c1-2-6-12(15)13-9-19(18-17-13)10-14(20)16-11-7-4-3-5-8-11/h3-5,7-9,12H,2,6,10,15H2,1H3,(H,16,20)
InChIKeyLMZFLABZQOYTQT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.72
Rot. Bonds6

About 2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide

2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide (PubChem CID 106229529) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
PubChem CID106229529
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
SMILESCCCC(N)c1cn(CC(=O)Nc2ccccc2)nn1
InChIInChI=1S/C14H19N5O/c1-2-6-12(15)13-9-19(18-17-13)10-14(20)16-11-7-4-3-5-8-11/h3-5,7-9,12H,2,6,10,15H2,1H3,(H,16,20)
InChIKeyLMZFLABZQOYTQT-UHFFFAOYSA-N
XLogP1.72
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-aminopropyl)triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106227465
2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 106228683
2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786
2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 106229672
2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106228975
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 114419901
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595
3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
CID 106228612
N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80742856
1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
CID 106228757
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-bromo-2-pyridinyl)acetamide
CID 106227521

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide (CID 106229529) is 2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide is CCCC(N)c1cn(CC(=O)Nc2ccccc2)nn1.
What is the InChIKey of 2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide?
The InChIKey is LMZFLABZQOYTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-6-12(15)13-9-19(18-17-13)10-14(20)16-11-7-4-3-5-8-11/h3-5,7-9,12H,2,6,10,15H2,1H3,(H,16,20).
What are the key properties of 2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide?
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide has a molecular weight of 273.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 106229529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).