2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide

C12H22N6O2 — CID 114778394

IUPAC2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1cc(CNC(=O)CN)nn1
InChIInChI=1S/C12H22N6O2/c1-4-17(5-2)12(20)9(3)18-8-10(15-16-18)7-14-11(19)6-13/h8-9H,4-7,13H2,1-3H3,(H,14,19)
InChIKeyFZELKOVARHFZAU-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.72
Rot. Bonds7

About 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide

2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide (PubChem CID 114778394) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide
PubChem CID114778394
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1cc(CNC(=O)CN)nn1
InChIInChI=1S/C12H22N6O2/c1-4-17(5-2)12(20)9(3)18-8-10(15-16-18)7-14-11(19)6-13/h8-9H,4-7,13H2,1-3H3,(H,14,19)
InChIKeyFZELKOVARHFZAU-UHFFFAOYSA-N
XLogP-0.72
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide
CID 114778173
2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778510
2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778570
2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide
CID 106228668
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
CID 66194489
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830
2-[4-(4-aminobutyl)triazol-1-yl]-N-butylpropanamide
CID 106209360
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66192869
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
CID 116642219

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide?
The IUPAC name of 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide (CID 114778394) is 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)n1cc(CNC(=O)CN)nn1.
What is the InChIKey of 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide?
The InChIKey is FZELKOVARHFZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-4-17(5-2)12(20)9(3)18-8-10(15-16-18)7-14-11(19)6-13/h8-9H,4-7,13H2,1-3H3,(H,14,19).
What are the key properties of 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide?
2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide has a molecular weight of 282.35 g/mol, XLogP of -0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 114778394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).