2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide

C11H21N5O — CID 156530462

IUPAC2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide
SMILESCNCCCn1cc(CNC(=O)C(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-9(2)11(17)13-7-10-8-16(15-14-10)6-4-5-12-3/h8-9,12H,4-7H2,1-3H3,(H,13,17)
InChIKeyLYOLNGVOXCDMGZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.16
Rot. Bonds7

About 2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide

2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide (PubChem CID 156530462) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide
PubChem CID156530462
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide
SMILESCNCCCn1cc(CNC(=O)C(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-9(2)11(17)13-7-10-8-16(15-14-10)6-4-5-12-3/h8-9,12H,4-7H2,1-3H3,(H,13,17)
InChIKeyLYOLNGVOXCDMGZ-UHFFFAOYSA-N
XLogP0.16
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide (CID 156530462) is 2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide is CNCCCn1cc(CNC(=O)C(C)C)nn1.
What is the InChIKey of 2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide?
The InChIKey is LYOLNGVOXCDMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9(2)11(17)13-7-10-8-16(15-14-10)6-4-5-12-3/h8-9,12H,4-7H2,1-3H3,(H,13,17).
What are the key properties of 2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide?
2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide has a molecular weight of 239.32 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]propanamide is sourced from PubChem (CID 156530462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).