2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide

C12H20N6O2 — CID 114778570

IUPAC2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide
SMILESCC(C(=O)N1CCCC1)n1cc(CNC(=O)CN)nn1
InChIInChI=1S/C12H20N6O2/c1-9(12(20)17-4-2-3-5-17)18-8-10(15-16-18)7-14-11(19)6-13/h8-9H,2-7,13H2,1H3,(H,14,19)
InChIKeyWBIOBCZNXBDSOG-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.96
Rot. Bonds5

About 2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide (PubChem CID 114778570) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide
PubChem CID114778570
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide
SMILESCC(C(=O)N1CCCC1)n1cc(CNC(=O)CN)nn1
InChIInChI=1S/C12H20N6O2/c1-9(12(20)17-4-2-3-5-17)18-8-10(15-16-18)7-14-11(19)6-13/h8-9H,2-7,13H2,1H3,(H,14,19)
InChIKeyWBIOBCZNXBDSOG-UHFFFAOYSA-N
XLogP-0.96
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide with MolForge

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Related Compounds

2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 62399963
2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide
CID 114778173
2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 106220722
2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778510
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]propan-1-one
CID 62399439
2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide
CID 114778394
2-[1-[1-(azepan-1-yl)-1-oxopropan-2-yl]triazol-4-yl]acetic acid
CID 107461826
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63999918
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
2-amino-N-[[1-(3-chloro-2-methylphenyl)triazol-4-yl]methyl]acetamide
CID 114777897
2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide
CID 103481334
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide (CID 114778570) is 2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide is CC(C(=O)N1CCCC1)n1cc(CNC(=O)CN)nn1.
What is the InChIKey of 2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide?
The InChIKey is WBIOBCZNXBDSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-9(12(20)17-4-2-3-5-17)18-8-10(15-16-18)7-14-11(19)6-13/h8-9H,2-7,13H2,1H3,(H,14,19).
What are the key properties of 2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).