2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide

C13H24N6O2 — CID 106229672

IUPAC2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide
SMILESCCCC(N)c1cn(CC(=O)NC(=O)NC(C)(C)C)nn1
InChIInChI=1S/C13H24N6O2/c1-5-6-9(14)10-7-19(18-17-10)8-11(20)15-12(21)16-13(2,3)4/h7,9H,5-6,8,14H2,1-4H3,(H2,15,16,20,21)
InChIKeyDIMBLJLXXYEFPV-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.70
Rot. Bonds5

About 2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide

2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide (PubChem CID 106229672) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide
PubChem CID106229672
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide
SMILESCCCC(N)c1cn(CC(=O)NC(=O)NC(C)(C)C)nn1
InChIInChI=1S/C13H24N6O2/c1-5-6-9(14)10-7-19(18-17-10)8-11(20)15-12(21)16-13(2,3)4/h7,9H,5-6,8,14H2,1-4H3,(H2,15,16,20,21)
InChIKeyDIMBLJLXXYEFPV-UHFFFAOYSA-N
XLogP0.70
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 106228683
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496
N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 55067228
2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106228975
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 106227951
2-[4-(1-aminobutyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 106229119
3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
CID 106228612
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106228504
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 81444411
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229633

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide (CID 106229672) is 2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide is CCCC(N)c1cn(CC(=O)NC(=O)NC(C)(C)C)nn1.
What is the InChIKey of 2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is DIMBLJLXXYEFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-5-6-9(14)10-7-19(18-17-10)8-11(20)15-12(21)16-13(2,3)4/h7,9H,5-6,8,14H2,1-4H3,(H2,15,16,20,21).
What are the key properties of 2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide?
2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 296.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 106229672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).