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

C13H25N5O — CID 106228683

IUPAC2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCCC(N)c1cn(CC(=O)NC(C)(C)CC)nn1
InChIInChI=1S/C13H25N5O/c1-5-7-10(14)11-8-18(17-16-11)9-12(19)15-13(3,4)6-2/h8,10H,5-7,9,14H2,1-4H3,(H,15,19)
InChIKeyXAEVEEPCZRNAAS-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.38
Rot. Bonds7

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

2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 106228683) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID106228683
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCCC(N)c1cn(CC(=O)NC(C)(C)CC)nn1
InChIInChI=1S/C13H25N5O/c1-5-7-10(14)11-8-18(17-16-11)9-12(19)15-13(3,4)6-2/h8,10H,5-7,9,14H2,1-4H3,(H,15,19)
InChIKeyXAEVEEPCZRNAAS-UHFFFAOYSA-N
XLogP1.38
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 106229672
2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106228975
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
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
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 66193662
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106227686
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496
1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
CID 106228916
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-(4-chlorophenyl)acetamide
CID 106227465

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 106228683) is 2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCCC(N)c1cn(CC(=O)NC(C)(C)CC)nn1.
What is the InChIKey of 2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is XAEVEEPCZRNAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-7-10(14)11-8-18(17-16-11)9-12(19)15-13(3,4)6-2/h8,10H,5-7,9,14H2,1-4H3,(H,15,19).
What are the key properties of 2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 267.38 g/mol, XLogP of 1.38, 7 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 106228683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).