2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide

C11H21N5O — CID 66192085

IUPAC2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-8(10(17)12-5)16-7-9(14-15-16)6-13-11(2,3)4/h7-8,13H,6H2,1-5H3,(H,12,17)
InChIKeyGZDQJOKBGBYJEM-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.47
Rot. Bonds4

About 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide

2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide (PubChem CID 66192085) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide
PubChem CID66192085
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-8(10(17)12-5)16-7-9(14-15-16)6-13-11(2,3)4/h7-8,13H,6H2,1-5H3,(H,12,17)
InChIKeyGZDQJOKBGBYJEM-UHFFFAOYSA-N
XLogP0.47
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide (CID 66192085) is 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide is CNC(=O)C(C)n1cc(CNC(C)(C)C)nn1.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide?
The InChIKey is GZDQJOKBGBYJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8(10(17)12-5)16-7-9(14-15-16)6-13-11(2,3)4/h7-8,13H,6H2,1-5H3,(H,12,17).
What are the key properties of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide?
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 66192085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).