2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide

C10H19N5O — CID 116642329

IUPAC2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1cc(CCN)nn1
InChIInChI=1S/C10H19N5O/c1-10(2,3)12-9(16)7-15-6-8(4-5-11)13-14-15/h6H,4-5,7,11H2,1-3H3,(H,12,16)
InChIKeyGEODXDYZAPRUQL-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.31
Rot. Bonds4

About 2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide

2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide (PubChem CID 116642329) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide
PubChem CID116642329
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1cc(CCN)nn1
InChIInChI=1S/C10H19N5O/c1-10(2,3)12-9(16)7-15-6-8(4-5-11)13-14-15/h6H,4-5,7,11H2,1-3H3,(H,12,16)
InChIKeyGEODXDYZAPRUQL-UHFFFAOYSA-N
XLogP-0.31
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
2-[4-(2-aminoethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 116641828
N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 55067228
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-4-methylpentanoic acid
CID 115459751
2-[4-(2-aminoethyl)triazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 116642022
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 116642275
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 116641691
methyl N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]carbamate
CID 106221194
2-[4-(4-aminobutyl)triazol-1-yl]-N-propan-2-ylacetamide
CID 106209238
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 116642027

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide (CID 116642329) is 2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)Cn1cc(CCN)nn1.
What is the InChIKey of 2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide?
The InChIKey is GEODXDYZAPRUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-10(2,3)12-9(16)7-15-6-8(4-5-11)13-14-15/h6H,4-5,7,11H2,1-3H3,(H,12,16).
What are the key properties of 2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide?
2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide has a molecular weight of 225.30 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 116642329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).