N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide

C10H19N5O — CID 81484813

IUPACN-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide
SMILESCCC(N)(CC)CNC(=O)Cn1ccnn1
InChIInChI=1S/C10H19N5O/c1-3-10(11,4-2)8-12-9(16)7-15-6-5-13-14-15/h5-6H,3-4,7-8,11H2,1-2H3,(H,12,16)
InChIKeyBUYGGCXBUGYLLF-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.09
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide

N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide (PubChem CID 81484813) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide
PubChem CID81484813
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide
SMILESCCC(N)(CC)CNC(=O)Cn1ccnn1
InChIInChI=1S/C10H19N5O/c1-3-10(11,4-2)8-12-9(16)7-15-6-5-13-14-15/h5-6H,3-4,7-8,11H2,1-2H3,(H,12,16)
InChIKeyBUYGGCXBUGYLLF-UHFFFAOYSA-N
XLogP-0.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide (CID 81484813) is N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide is CCC(N)(CC)CNC(=O)Cn1ccnn1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide?
The InChIKey is BUYGGCXBUGYLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-10(11,4-2)8-12-9(16)7-15-6-5-13-14-15/h5-6H,3-4,7-8,11H2,1-2H3,(H,12,16).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide?
N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide has a molecular weight of 225.30 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 81484813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).